Chem
J-GLOBAL ID：201707017839347424
Nikkaji number：J3.611.844J
2,2,7,7,12,12,17,17-Octaethyl-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 21-oxide
2,2,7,7,12,12,17,17-オクタエチル-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21-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： C36H48[O-]S3[S+]
Molecular formula furigana： C36-H48-O-S4
Molecular weight： 625.020
InChI：
InChI=1S/C36H48OS4/c1-9-33(10-2)25-17-18-26(38-25)34(11-3,12-4)28-20-22-30(40-28)36(15-7,16-8)32-24-23-31(41(32)37)35(13-5,14-6)29-21-19-27(33)39-29/h17-24H,9-16H2,1-8H3
InChI key：
SHLUNDZMGYATLQ-UHFFFAOYSA-N
SMILES：
CCC1(CC)C2=CC=C([S+]2[O-])C(CC)(CC)c2ccc(s2)C(CC)(CC)c2ccc(s2)C(CC)(CC)c2ccc1s2
Systematic name (3)：
- 2,2,7,7,12,12,17,17-オクタエチル-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21-オキシド
- 2,2,7,7,12,12,17,17-オクタエチル-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-21-イウム-21-オラート
- 2,2,7,7,12,12,17,17-octaethyl-21,22,23,24-tetrathiapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaen-21-ium-21-olate
- 2,2,7,7,12,12,17,17-Octaethyl-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 21-oxide
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