3-[(12-oxidanylidene-7H-benzo[a]anthracen-3-yl)sulfanyl]-7H-benzo[a]anthracen-12-one

Systemtic Name: 3-[(12-oxidanylidene-7H-benzo[a]anthracen-3-yl)sulfanyl]-7H-benzo[a]anthracen-12-one Openeye Name: 3-[(12-oxo-7H-benzo[a]anthracen-3-yl)sulfanyl]-7H-benzo[a]anthracen-12-one CAS Name: 3-[(12-oxo-7H-benzo[a]anthracen-3-yl)thio]-7H-benzo[a]anthracen-12-one IUPAC Name: 3-[(12-oxo-7H-benzo[a]anthracen-3-yl)sulfanyl]-7H-benzo[a]anthracen-12-one Traditional Name: 3-[(12-keto-7H-benz[a]anthracen-3-yl)thio]-7H-benz[a]anthracen-12-one Formula: C36H22O2S MolecularWeight: 518.62368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(C=C2)C=C(C=C3)SC4=CC5=C(C=C4)C6=C(CC7=CC=CC=C7C6=O)C=C5)C(=O)C8=CC=CC=C81

Isomeric SMILES

C1C2=C(C3=C(C=C2)C=C(C=C3)SC4=CC5=C(C=C4)C6=C(CC7=CC=CC=C7C6=O)C=C5)C(=O)C8=CC=CC=C81

InChI

InChI=1S/C36H22O2S/c37-35-31-7-3-1-5-21(31)17-25-11-9-23-19-27(13-15-29(23)33(25)35)39-28-14-16-30-24(20-28)10-12-26-18-22-6-2-4-8-32(22)36(38)34(26)30/h1-16,19-20H,17-18H2