1-azanyl-4-[(4-methyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; N-octyloctan-1-amine

Systemtic Name: 1-azanyl-4-[(4-methyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; N-octyloctan-1-amine Openeye Name: 1-amino-4-(4-methyl-2-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid; N-octyloctan-1-amine CAS Name: 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid; N-octyl-1-octanamine IUPAC Name: 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid; N-octyloctan-1-amine Traditional Name: 1-amino-9,10-diketo-4-(4-methyl-2-sulfo-anilino)anthracene-2-sulfonic acid; dioctylamine Formula: C53H86N4O8S2 MolecularWeight: 971.40194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O8S2.2C16H35N/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;2*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);2*17H,3-16H2,1-2H3