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(2aS,3S,4S,8S,9S,9aS)-4,8-Diphenyl-3,4,9,9a-tetrahydro-2aH,8H-5,6,7-trithia-benzo[cd]pyrene-3,9-dicarboxylic acid dimethyl ester

View entire compound with spectra: 1 MS (GC)

(2aS,3S,4S,8S,9S,9aS)-4,8-Diphenyl-3,4,9,9a-tetrahydro-2aH,8H-5,6,7-trithia-benzo[cd]pyrene-3,9-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 6fA1PVMjKQm
InChI InChI=1S/C32H26O4S3/c1-35-29(33)25-20-15-13-17-14-16-21-24-22(17)23(20)31(37-27(25)18-9-5-3-6-10-18)39-32(24)38-28(26(21)30(34)36-2)19-11-7-4-8-12-19/h3-16,20-21,25-28H,1-2H3/t20-,21-,25-,26-,27-,28-/m1/s1
InChIKey MSULOEZLEHJAHV-SFLWRXJFSA-N
Mol Weight 570.7 g/mol
Molecular Formula C32H26O4S3
Exact Mass 570.099323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiDVsHlzfCF
Name (2aS,3S,4S,8S,9S,9aS)-4,8-Diphenyl-3,4,9,9a-tetrahydro-2aH,8H-5,6,7-trithia-benzo[cd]pyrene-3,9-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26O4S3
InChI InChI=1S/C32H26O4S3/c1-35-29(33)25-20-15-13-17-14-16-21-24-22(17)23(20)31(37-27(25)18-9-5-3-6-10-18)39-32(24)38-28(26(21)30(34)36-2)19-11-7-4-8-12-19/h3-16,20-21,25-28H,1-2H3/t20-,21-,25-,26-,27-,28-/m1/s1
InChIKey MSULOEZLEHJAHV-SFLWRXJFSA-N
Molecular Weight 570.736 g/mol
SMILES C1=2SC3=C4[C@@](C=CC5=C4C2[C@@](C=C5)([C@]([C@](S1)(c1ccccc1)[H])(C(OC)=O)[H])[H])([C@]([C@](S3)(c1ccccc1)[H])(C(OC)=O)[H])[H]
SPLASH splash10-001i-0937350000-9390b718e17d2791332e
Source of Spectrum HAC-10-144-9
Synonyms Dimethyl (2aS,3S,4S,8S,9S,9aS)-4,8-diphenyl-2a,3,9,9a-tetrahydro-4H,8H-isothiochromeno[1,8,7-cde]thiopyrano[4,3,2-ij]isothiochromene-3,9-dicarboxylate
Wiley ID 1783207