6,11-bis[4-[3-(oxan-2-yloxy)propyl]phenoxy]-8-phenylsulfanyl-tetracene-5,12-dione

Systemtic Name: 6,11-bis[4-[3-(oxan-2-yloxy)propyl]phenoxy]-8-phenylsulfanyl-tetracene-5,12-dione Openeye Name: 8-phenylsulfanyl-6,11-bis[4-(3-tetrahydropyran-2-yloxypropyl)phenoxy]tetracene-5,12-dione CAS Name: 6,11-bis[4-[3-(2-oxanyloxy)propyl]phenoxy]-8-(phenylthio)tetracene-5,12-dione IUPAC Name: 6,11-bis[4-[3-(oxan-2-yloxy)propyl]phenoxy]-8-phenylsulfanyltetracene-5,12-dione Traditional Name: 8-(phenylthio)-6,11-bis[4-(3-tetrahydropyran-2-yloxypropyl)phenoxy]tetracene-5,12-quinone Formula: C52H50O8S MolecularWeight: 835.0136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCC2=CC=C(C=C2)OC3=C4C(=C(C5=C3C=CC(=C5)SC6=CC=CC=C6)OC7=CC=C(C=C7)CCCOC8CCCCO8)C(=O)C9=CC=CC=C9C4=O

Isomeric SMILES

C1CCOC(C1)OCCCC2=CC=C(C=C2)OC3=C4C(=C(C5=C3C=CC(=C5)SC6=CC=CC=C6)OC7=CC=C(C=C7)CCCOC8CCCCO8)C(=O)C9=CC=CC=C9C4=O

InChI

InChI=1S/C52H50O8S/c53-49-41-16-4-5-17-42(41)50(54)48-47(49)51(59-37-24-20-35(21-25-37)12-10-32-57-45-18-6-8-30-55-45)43-29-28-40(61-39-14-2-1-3-15-39)34-44(43)52(48)60-38-26-22-36(23-27-38)13-11-33-58-46-19-7-9-31-56-46/h1-5,14-17,20-29,34,45-46H,6-13,18-19,30-33H2