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

Systemtic Name: 4-[[4-(2-acetamidoethylamino)-3-sulfo-phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-[4-(2-acetamidoethylamino)-3-sulfo-anilino]-1-amino-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-[4-(2-acetamidoethylamino)-3-sulfoanilino]-1-amino-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-[4-(2-acetamidoethylamino)-3-sulfoanilino]-1-amino-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4-[4-(2-acetamidoethylamino)-3-sulfo-anilino]-1-amino-9,10-diketo-anthracene-2-sulfonic acid Formula: C24H22N4O9S2 MolecularWeight: 574.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=C(C=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

CC(=O)NCCNC1=C(C=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/C24H22N4O9S2/c1-12(29)26-8-9-27-16-7-6-13(10-18(16)38(32,33)34)28-17-11-19(39(35,36)37)22(25)21-20(17)23(30)14-4-2-3-5-15(14)24(21)31/h2-7,10-11,27-28H,8-9,25H2,1H3,(H,26,29)(H,32,33,34)(H,35,36,37)