1,4-bis[2-(4-hydroxyphenyl)ethylamino]-6-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1,4-bis[2-(4-hydroxyphenyl)ethylamino]-6-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 1,4-bis[2-(4-hydroxyphenyl)ethylamino]-6-phenylsulfanyl-anthracene-9,10-dione CAS Name: 1,4-bis[2-(4-hydroxyphenyl)ethylamino]-6-(phenylthio)anthracene-9,10-dione IUPAC Name: 1,4-bis[2-(4-hydroxyphenyl)ethylamino]-6-phenylsulfanylanthracene-9,10-dione Traditional Name: 1,4-bis[2-(4-hydroxyphenyl)ethylamino]-6-(phenylthio)-9,10-anthraquinone Formula: C36H30N2O4S MolecularWeight: 586.6994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)NCCC5=CC=C(C=C5)O)NCCC6=CC=C(C=C6)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)NCCC5=CC=C(C=C5)O)NCCC6=CC=C(C=C6)O

InChI

InChI=1S/C36H30N2O4S/c39-25-10-6-23(7-11-25)18-20-37-31-16-17-32(38-21-19-24-8-12-26(40)13-9-24)34-33(31)35(41)29-15-14-28(22-30(29)36(34)42)43-27-4-2-1-3-5-27/h1-17,22,37-40H,18-21H2