Chem
J-GLOBAL ID:201007034343315840
Nikkaji number:J2.865.449I
3,15-Dithiahexacyclo[14.8.0.02,14 .04,13 .07,12 .018,23 ]tetracosane-1(16),2(14),4(13),5,7(12),8,10,17,19,21,23-undecaene
12,24-ジチアヘキサシクロ[11.11.0.02,11 .03,8 .014,23 .016,21 ]テトラコサ-1(13),2(11),3,5,7,9,14(23),15,17,19,21-ウンデカエン
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Substance type:
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
Molecular formula:
C22 H12 S2
Molecular formula furigana:
C22-H12-S2
Molecular weight:
340.460
InChI:
InChI=1S/C22H12S2/c1-2-7-15-12-19-17(11-14(15)6-1)21-22(24-19)20-16-8-4-3-5-13(16)9-10-18(20)23-21/h1-12H
InChI key:
PHQCRNDREMLUBS-UHFFFAOYSA-N
SMILES:
c1ccc2cc3c(cc2c1)sc1c3sc2ccc3ccccc3c12
Systematic name (3):
3,15-ジチアヘキサシクロ[14.8.0.02,14 .04,13 .07,12 .018,23 ]テトラコサン-1(16),2(14),4(13),5,7(12),8,10,17,19,21,23-ウンデカエン
12,24-ジチアヘキサシクロ[11.11.0.02,11 .03,8 .014,23 .016,21 ]テトラコサ-1(13),2(11),3,5,7,9,14(23),15,17,19,21-ウンデカエン
12,24-dithiahexacyclo[11.11.0.02,11 .03,8 .014,23 .016,21 ]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene
Other name (1):
3,15-Dithiahexacyclo[14.8.0.02,14 .04,13 .07,12 .018,23 ]tetracosane-1(16),2(14),4(13),5,7(12),8,10,17,19,21,23-undecaene
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