6-(benzo[b]pyren-6-yldisulfanyl)benzo[a]pyrene

Systemtic Name: 6-(benzo[b]pyren-6-yldisulfanyl)benzo[a]pyrene Openeye Name: 6-(benzo[b]pyren-6-yldisulfanyl)benzo[a]pyrene CAS Name: 6-(6-benzo[b]pyrenyldisulfanyl)benzo[a]pyrene IUPAC Name: 6-(benzo[b]pyren-6-yldisulfanyl)benzo[a]pyrene Traditional Name: 6-(benzo[b]pyren-6-yldisulfanyl)benzo[a]pyrene Formula: C40H22S2 MolecularWeight: 566.73268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2SSC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C9=CC=CC=C95)C=CC1=CC=CC(=C14)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2SSC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C9=CC=CC=C95)C=CC1=CC=CC(=C14)C=C3

InChI

InChI=1S/C40H22S2/c1-3-13-31-27(11-1)29-19-15-23-7-5-9-25-17-21-33(37(29)35(23)25)39(31)41-42-40-32-14-4-2-12-28(32)30-20-16-24-8-6-10-26-18-22-34(40)38(30)36(24)26/h1-22H