4-(4-tert-butylphenyl)sulfanyl-1,8-bis(oxidanyl)-2,7-dipentyl-5-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-1,8-bis(oxidanyl)-2,7-dipentyl-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-1,8-dihydroxy-2,7-dipentyl-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 4-[(4-tert-butylphenyl)thio]-1,8-dihydroxy-2,7-dipentyl-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-1,8-dihydroxy-2,7-dipentyl-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 2,7-diamyl-4-[(4-tert-butylphenyl)thio]-1,8-dihydroxy-5-(phenylthio)-9,10-anthraquinone Formula: C40H44O4S2 MolecularWeight: 652.90496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=C(C=C4)C(C)(C)C)CCCCC)O)SC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=C(C=C4)C(C)(C)C)CCCCC)O)SC5=CC=CC=C5

InChI

InChI=1S/C40H44O4S2/c1-6-8-11-15-25-23-30(45-28-17-13-10-14-18-28)32-34(36(25)41)39(44)35-33(38(32)43)31(24-26(37(35)42)16-12-9-7-2)46-29-21-19-27(20-22-29)40(3,4)5/h10,13-14,17-24,41-42H,6-9,11-12,15-16H2,1-5H3