4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 4-(4-acetamidoanilino)-1-amino-9,10-diketo-anthracene-2,6-disulfonic acid Formula: C22H17N3O9S2 MolecularWeight: 531.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C22H17N3O9S2/c1-10(26)24-11-2-4-12(5-3-11)25-16-9-17(36(32,33)34)20(23)19-18(16)22(28)15-8-13(35(29,30)31)6-7-14(15)21(19)27/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)