2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-thiophen-2-yl-benzo[e]pyren-4-yl]thiophene

Systemtic Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-thiophen-2-yl-benzo[e]pyren-4-yl]thiophene Openeye Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-(2-thienyl)benzo[e]pyren-4-yl]thiophene CAS Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-thiophen-2-yl-4-benzo[e]pyrenyl]thiophene IUPAC Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-thiophen-2-ylbenzo[e]pyren-4-yl]thiophene Traditional Name: 2-[(12cS,12dS)-2,7-ditert-butyl-12c,12d-dimethyl-5-(2-thienyl)benzo[e]pyren-4-yl]thiophene Formula: C38H38S2 MolecularWeight: 558.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=CC1=C(C(=C4C2(C(=CC(=C4)C(C)(C)C)C5=CC=CC=C53)C)C6=CC=CS6)C7=CC=CS7)C(C)(C)C

Isomeric SMILES

C[C@]12C3=CC(=CC1=C(C(=C4[C@@]2(C(=CC(=C4)C(C)(C)C)C5=CC=CC=C53)C)C6=CC=CS6)C7=CC=CS7)C(C)(C)C

InChI

InChI=1S/C38H38S2/c1-35(2,3)23-19-27-25-13-9-10-14-26(25)28-20-24(36(4,5)6)22-30-34(32-16-12-18-40-32)33(31-15-11-17-39-31)29(21-23)37(27,7)38(28,30)8/h9-22H,1-8H3/t37-,38-/m0/s1