1-azanyl-4-[[4-(2-azanylethylamino)-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[4-(2-azanylethylamino)-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(2-aminoethylamino)-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(2-aminoethylamino)-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(2-aminoethylamino)-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(2-aminoethylamino)-3-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H20N4O8S2 MolecularWeight: 532.5462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NCCN)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NCCN)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C22H20N4O8S2/c23-7-8-25-14-6-5-11(9-16(14)35(29,30)31)26-15-10-17(36(32,33)34)20(24)19-18(15)21(27)12-3-1-2-4-13(12)22(19)28/h1-6,9-10,25-26H,7-8,23-24H2,(H,29,30,31)(H,32,33,34)