1,8-bis[[2-azanyl-4-(2-methylpropyl)phenyl]sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[[2-azanyl-4-(2-methylpropyl)phenyl]sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-isobutyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[[2-amino-4-(2-methylpropyl)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[[2-amino-4-(2-methylpropyl)phenyl]sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-isobutyl-phenyl)thio]-9,10-anthraquinone Formula: C34H34N2O2S2 MolecularWeight: 566.77596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CC(C)C)N)N

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CC(C)C)N)N

InChI

InChI=1S/C34H34N2O2S2/c1-19(2)15-21-11-13-27(25(35)17-21)39-29-9-5-7-23-31(29)34(38)32-24(33(23)37)8-6-10-30(32)40-28-14-12-22(16-20(3)4)18-26(28)36/h5-14,17-20H,15-16,35-36H2,1-4H3