2-[[5-[[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino]-3-methyl-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid; sodium

Systemtic Name: 2-[[5-[[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino]-3-methyl-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid; sodium Openeye Name: 2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methyl-phenyl]methyl]amino]acetic acid; sodium CAS Name: 2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid; sodium IUPAC Name: 2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid; sodium Traditional Name: 2-[carboxymethyl-[5-[(3,5-dibromo-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methyl-benzyl]amino]acetic acid; sodium Formula: C18H16Br2N2NaO6 MolecularWeight: 539.12721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)N=C2C=C(C(=O)C(=C2)Br)Br.[Na]

Isomeric SMILES

CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)N=C2C=C(C(=O)C(=C2)Br)Br.[Na]

InChI

InChI=1S/C18H16Br2N2O6.Na/c1-9-2-11(21-12-4-13(19)18(28)14(20)5-12)3-10(17(9)27)6-22(7-15(23)24)8-16(25)26;/h2-5,27H,6-8H2,1H3,(H,23,24)(H,25,26);