2,3,6,8,9,11-hexakis(phenylsulfanyl)tetracene-5,12-dione

Systemtic Name: 2,3,6,8,9,11-hexakis(phenylsulfanyl)tetracene-5,12-dione Openeye Name: 2,3,6,8,9,11-hexakis(phenylsulfanyl)tetracene-5,12-dione CAS Name: 2,3,6,8,9,11-hexakis(phenylthio)tetracene-5,12-dione IUPAC Name: 2,3,6,8,9,11-hexakis(phenylsulfanyl)tetracene-5,12-dione Traditional Name: 2,3,6,8,9,11-hexakis(phenylthio)tetracene-5,12-quinone Formula: C54H34O2S6 MolecularWeight: 907.23656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C3C(=C2)C(=C4C(=C3SC5=CC=CC=C5)C(=O)C6=CC(=C(C=C6C4=O)SC7=CC=CC=C7)SC8=CC=CC=C8)SC9=CC=CC=C9)SC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C3C(=C2)C(=C4C(=C3SC5=CC=CC=C5)C(=O)C6=CC(=C(C=C6C4=O)SC7=CC=CC=C7)SC8=CC=CC=C8)SC9=CC=CC=C9)SC1=CC=CC=C1

InChI

InChI=1S/C54H34O2S6/c55-51-41-31-45(57-35-19-7-1-8-20-35)46(58-36-21-9-2-10-22-36)32-42(41)52(56)50-49(51)53(61-39-27-15-5-16-28-39)43-33-47(59-37-23-11-3-12-24-37)48(60-38-25-13-4-14-26-38)34-44(43)54(50)62-40-29-17-6-18-30-40/h1-34H