2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyren-10-yl]thiophene

Systemtic Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyren-10-yl]thiophene Openeye Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyren-10-yl]thiophene CAS Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-10-benzo[e]pyrenyl]thiophene IUPAC Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethylbenzo[e]pyren-10-yl]thiophene Traditional Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-benzo[e]pyren-10-yl]thiophene Formula: C34H36S MolecularWeight: 476.71464

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=CC1=C4C=CC(=CC4=C5C2(C(=CC(=C5)C(C)(C)C)C=C3)C)C6=CC=CS6)C(C)(C)C

Isomeric SMILES

C[C@]12C3=CC(=CC1=C4C=CC(=CC4=C5[C@@]2(C(=CC(=C5)C(C)(C)C)C=C3)C)C6=CC=CS6)C(C)(C)C

InChI

InChI=1S/C34H36S/c1-31(2,3)24-17-22-12-13-23-18-25(32(4,5)6)20-29-27-16-21(30-10-9-15-35-30)11-14-26(27)28(19-24)33(22,7)34(23,29)8/h9-20H,1-8H3/t33-,34-/m0/s1