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

Systemtic Name: 4-(4-tert-butylphenyl)sulfanyl-2,7-diheptyl-1,8-bis(oxidanyl)-5-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 4-(4-tert-butylphenyl)sulfanyl-2,7-diheptyl-1,8-dihydroxy-5-phenylsulfanyl-anthracene-9,10-dione CAS Name: 4-[(4-tert-butylphenyl)thio]-2,7-diheptyl-1,8-dihydroxy-5-(phenylthio)anthracene-9,10-dione IUPAC Name: 4-(4-tert-butylphenyl)sulfanyl-2,7-diheptyl-1,8-dihydroxy-5-phenylsulfanylanthracene-9,10-dione Traditional Name: 4-[(4-tert-butylphenyl)thio]-2,7-diheptyl-1,8-dihydroxy-5-(phenylthio)-9,10-anthraquinone Formula: C44H52O4S2 MolecularWeight: 709.01128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=C(C=C4)C(C)(C)C)CCCCCCC)O)SC5=CC=CC=C5

Isomeric SMILES

CCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)SC4=CC=C(C=C4)C(C)(C)C)CCCCCCC)O)SC5=CC=CC=C5

InChI

InChI=1S/C44H52O4S2/c1-6-8-10-12-15-19-29-27-34(49-32-21-17-14-18-22-32)36-38(40(29)45)43(48)39-37(42(36)47)35(28-30(41(39)46)20-16-13-11-9-7-2)50-33-25-23-31(24-26-33)44(3,4)5/h14,17-18,21-28,45-46H,6-13,15-16,19-20H2,1-5H3