3-[3-[[9,10-bis(oxidanylidene)-4-[4-(3-sulfophenyl)butan-2-ylamino]anthracen-1-yl]amino]butyl]benzenesulfonic acid

Systemtic Name: 3-[3-[[9,10-bis(oxidanylidene)-4-[4-(3-sulfophenyl)butan-2-ylamino]anthracen-1-yl]amino]butyl]benzenesulfonic acid Openeye Name: 3-[3-[[4-[[1-methyl-3-(3-sulfophenyl)propyl]amino]-9,10-dioxo-1-anthryl]amino]butyl]benzenesulfonic acid CAS Name: 3-[3-[[9,10-dioxo-4-[4-(3-sulfophenyl)butan-2-ylamino]-1-anthracenyl]amino]butyl]benzenesulfonic acid IUPAC Name: 3-[3-[[9,10-dioxo-4-[4-(3-sulfophenyl)butan-2-ylamino]anthracen-1-yl]amino]butyl]benzenesulfonic acid Traditional Name: 3-[3-[[9,10-diketo-4-[[1-methyl-3-(3-sulfophenyl)propyl]amino]-1-anthryl]amino]butyl]besylic acid Formula: C34H34N2O8S2 MolecularWeight: 662.77236

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CC=C1)S(=O)(=O)O)NC2=C3C(=C(C=C2)NC(C)CCC4=CC(=CC=C4)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC(CCC1=CC(=CC=C1)S(=O)(=O)O)NC2=C3C(=C(C=C2)NC(C)CCC4=CC(=CC=C4)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C34H34N2O8S2/c1-21(13-15-23-7-5-9-25(19-23)45(39,40)41)35-29-17-18-30(32-31(29)33(37)27-11-3-4-12-28(27)34(32)38)36-22(2)14-16-24-8-6-10-26(20-24)46(42,43)44/h3-12,17-22,35-36H,13-16H2,1-2H3,(H,39,40,41)(H,42,43,44)