2-dodecylsulfanyl-6,11-diphenoxy-tetracene-5,12-dione

Systemtic Name: 2-dodecylsulfanyl-6,11-diphenoxy-tetracene-5,12-dione Openeye Name: 2-dodecylsulfanyl-6,11-diphenoxy-tetracene-5,12-dione CAS Name: 2-(dodecylthio)-6,11-diphenoxytetracene-5,12-dione IUPAC Name: 2-dodecylsulfanyl-6,11-diphenoxytetracene-5,12-dione Traditional Name: 2-(laurylthio)-6,11-diphenoxy-tetracene-5,12-quinone Formula: C42H42O4S MolecularWeight: 642.84548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC2=C(C=C1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCCCCCCCCCCSC1=CC2=C(C=C1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C42H42O4S/c1-2-3-4-5-6-7-8-9-10-19-28-47-32-26-27-33-36(29-32)40(44)38-37(39(33)43)41(45-30-20-13-11-14-21-30)34-24-17-18-25-35(34)42(38)46-31-22-15-12-16-23-31/h11-18,20-27,29H,2-10,19,28H2,1H3