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

Systemtic Name: 1-azanyl-4-[(4-methyl-2-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; N-nonylnonan-1-amine Openeye Name: 1-amino-4-(4-methyl-2-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid; N-nonylnonan-1-amine CAS Name: 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid; N-nonyl-1-nonanamine IUPAC Name: 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid; N-nonylnonan-1-amine Traditional Name: 1-amino-9,10-diketo-4-(4-methyl-2-sulfo-anilino)anthracene-2-sulfonic acid; di(nonyl)amine Formula: C57H94N4O8S2 MolecularWeight: 1027.50826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNCCCCCCCCC.CCCCCCCCCNCCCCCCCCC.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

CCCCCCCCCNCCCCCCCCC.CCCCCCCCCNCCCCCCCCC.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/C21H16N2O8S2.2C18H39N/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*1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);2*19H,3-18H2,1-2H3