1,8-bis[[2-azanyl-4-(3-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis[[2-azanyl-4-(3-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione Openeye Name: 1,8-bis[(2-amino-4-isopentyl-phenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,8-bis[[2-amino-4-(3-methylbutyl)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1,8-bis[[2-amino-4-(3-methylbutyl)phenyl]sulfanyl]anthracene-9,10-dione Traditional Name: 1,8-bis[(2-amino-4-isoamyl-phenyl)thio]-9,10-anthraquinone Formula: C36H38N2O2S2 MolecularWeight: 594.82912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCC(C)C)N)N

Isomeric SMILES

CC(C)CCC1=CC(=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=C(C=C(C=C5)CCC(C)C)N)N

InChI

InChI=1S/C36H38N2O2S2/c1-21(2)11-13-23-15-17-29(27(37)19-23)41-31-9-5-7-25-33(31)36(40)34-26(35(25)39)8-6-10-32(34)42-30-18-16-24(20-28(30)38)14-12-22(3)4/h5-10,15-22H,11-14,37-38H2,1-4H3