Chem
J-GLOBAL ID：201707017549915976
Nikkaji number：J3.611.845H
Tetraspiro[21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-2,1′:7,1′′:12,1′′′:17,1′′′′-tetracyclooctane]21,21,22,22,23,23,24,24-octaoxide
テトラスピロ[21,22,23,24-テトラチアペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),3,5,8,10,13,15,18-オクタエン-2,1′:7,1′′:12,1′′′:17,1′′′′-テトラシクロオクタン]21,21,22,22,23,23,24,24-オクタオキシド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C48H64[O-]8[S+2]4
Molecular formula furigana： C48-H64-O8-S4
Molecular weight： 897.270
InChI：
InChI=1S/C48H64O8S4/c49-57(50)37-21-23-39(57)46(31-15-7-2-8-16-32-46)41-25-27-43(59(41,53)54)48(35-19-11-4-12-20-36-48)44-28-26-42(60(44,55)56)47(33-17-9-3-10-18-34-47)40-24-22-38(58(40,51)52)45(37)29-13-5-1-6-14-30-45/h21-28H,1-20,29-36H2
InChI key：
YXEXTRZKFKQZEU-UHFFFAOYSA-N
SMILES：
[O-][S+2]1([O-])C2=CC=C1C1(CCCCCCC1)C1=CC=C(C3(CCCCCCC3)C3=CC=C(C4(CCCCCCC4)C4=CC=C(C52CCCCCCC5)[S+2]4([O-])[O-])[S+2]3([O-])[O-])[S+2]1([O-])[O-]
Systematic name (3)：
- テトラスピロ[21,22,23,24-テトラチアペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),3,5,8,10,13,15,18-オクタエン-2,1′:7,1′′:12,1′′′:17,1′′′′-テトラシクロオクタン]21,21,22,22,23,23,24,24-オクタオキシド
- テトラスピロ[21,22,23,24-テトラチアペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサン-2,1':7,1'':12,1''':17,1''''-テトラキス(シクロオクタン]-1(20),3,5,8,10,13,15,18-オクタエン-21,21,22,22,23,23,24,24-オクタイウム-21,21,22,22,23,23,24,24-オクタキス(オラート)
- tetraspiro[21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosane-2,1':7,1'':12,1''':17,1''''-tetrakis(cyclooctane]-1(20),3,5,8,10,13,15,18-octaen-21,21,22,22,23,23,24,24-octaium-21,21,22,22,23,23,24,24-octakis(olate)
- Tetraspiro[21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-2,1′:7,1′′:12,1′′′:17,1′′′′-tetracyclooctane]21,21,22,22,23,23,24,24-octaoxide
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