3,9-bis(phenylsulfanyl)perylene-1,2-dicarboxylate

Systemtic Name: 3,9-bis(phenylsulfanyl)perylene-1,2-dicarboxylate Openeye Name: 3,9-bis(phenylsulfanyl)perylene-1,2-dicarboxylate CAS Name: 3,9-bis(phenylthio)perylene-1,2-dicarboxylate IUPAC Name: 3,9-bis(phenylsulfanyl)perylene-1,2-dicarboxylate Traditional Name: 3,9-bis(phenylthio)perylene-1,2-dicarboxylate Formula: C34H18O4S2-2 MolecularWeight: 554.63432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C3C4=C5C(=CC=C4)C(=C(C(=C5C6=C3C2=CC=C6)C(=O)[O-])C(=O)[O-])SC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C3C4=C5C(=CC=C4)C(=C(C(=C5C6=C3C2=CC=C6)C(=O)[O-])C(=O)[O-])SC7=CC=CC=C7

InChI

InChI=1S/C34H20O4S2/c35-33(36)30-29-24-15-8-14-23-26(39-19-9-3-1-4-10-19)18-17-22(27(23)24)21-13-7-16-25(28(21)29)32(31(30)34(37)38)40-20-11-5-2-6-12-20/h1-18H,(H,35,36)(H,37,38)/p-2