1-azanyl-4-[3-[(4-nitrophenyl)amino]propylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[3-[(4-nitrophenyl)amino]propylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(4-nitroanilino)propylamino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(4-nitroanilino)propylamino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(4-nitroanilino)propylamino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[3-(4-nitroanilino)propylamino]anthracene-2-sulfonic acid Formula: C23H20N4O7S MolecularWeight: 496.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCNC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCNC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)N

InChI

InChI=1S/C23H20N4O7S/c24-21-18(35(32,33)34)12-17(19-20(21)23(29)16-5-2-1-4-15(16)22(19)28)26-11-3-10-25-13-6-8-14(9-7-13)27(30)31/h1-2,4-9,12,25-26H,3,10-11,24H2,(H,32,33,34)