6,11-bis[4-(3-oxidanylpropyl)phenoxy]-8-phenylsulfanyl-tetracene-5,12-dione

Systemtic Name: 6,11-bis[4-(3-oxidanylpropyl)phenoxy]-8-phenylsulfanyl-tetracene-5,12-dione Openeye Name: 6,11-bis[4-(3-hydroxypropyl)phenoxy]-8-phenylsulfanyl-tetracene-5,12-dione CAS Name: 6,11-bis[4-(3-hydroxypropyl)phenoxy]-8-(phenylthio)tetracene-5,12-dione IUPAC Name: 6,11-bis[4-(3-hydroxypropyl)phenoxy]-8-phenylsulfanyltetracene-5,12-dione Traditional Name: 6,11-bis[4-(3-hydroxypropyl)phenoxy]-8-(phenylthio)tetracene-5,12-quinone Formula: C42H34O6S MolecularWeight: 666.78076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=C4C(=C3OC5=CC=C(C=C5)CCCO)C(=O)C6=CC=CC=C6C4=O)OC7=CC=C(C=C7)CCCO

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=C4C(=C3OC5=CC=C(C=C5)CCCO)C(=O)C6=CC=CC=C6C4=O)OC7=CC=C(C=C7)CCCO

InChI

InChI=1S/C42H34O6S/c43-24-6-8-27-14-18-29(19-15-27)47-41-35-23-22-32(49-31-10-2-1-3-11-31)26-36(35)42(48-30-20-16-28(17-21-30)9-7-25-44)38-37(41)39(45)33-12-4-5-13-34(33)40(38)46/h1-5,10-23,26,43-44H,6-9,24-25H2