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

Systemtic Name: 4-[3-[(4-aminophenyl)amino]propylamino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-(4-aminoanilino)propylamino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-(4-aminoanilino)propylamino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-(4-aminoanilino)propylamino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-(4-aminoanilino)propylamino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H22N4O5S MolecularWeight: 466.50958

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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)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)S(=O)(=O)O)N

InChI

InChI=1S/C23H22N4O5S/c24-13-6-8-14(9-7-13)26-10-3-11-27-17-12-18(33(30,31)32)21(25)20-19(17)22(28)15-4-1-2-5-16(15)23(20)29/h1-2,4-9,12,26-27H,3,10-11,24-25H2,(H,30,31,32)