Chem
J-GLOBAL ID：201707020986871199
Nikkaji number：J3.611.843A
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 21,23-dioxide
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21,23-ジオキシド
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-]2S2[S+]2
Molecular formula furigana： C36-H48-O2-S4
Molecular weight： 641.020
InChI：
InChI=1S/C36H48O2S4/c1-9-33(10-2)25-17-18-26(39-25)34(11-3,12-4)31-23-24-32(42(31)38)36(15-7,16-8)28-20-19-27(40-28)35(13-5,14-6)30-22-21-29(33)41(30)37/h17-24H,9-16H2,1-8H3
InChI key：
JEXMECCTKPFAJT-UHFFFAOYSA-N
SMILES：
CCC1(CC)C2=CC=C([S+]2[O-])C(CC)(CC)c2ccc(s2)C(CC)(CC)C2=CC=C([S+]2[O-])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21,23-ジオキシド
- 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-21,23-ジイウム-21,23-ビス(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-octaene-21,23-diium-21,23-bis(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 21,23-dioxide
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