sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene]-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl]methyl]benzoate

Systemtic Name: sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene]-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl]methyl]benzoate Openeye Name: sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene]methyl]benzoate CAS Name: sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene]methyl]benzoate IUPAC Name: sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]methyl]benzoate Traditional Name: sodium 2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-isopropyl-2-methyl-phenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene]methyl]benzoate Formula: C38H43N2NaO12 MolecularWeight: 742.74399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)CN(CC(=O)O)CC(=O)O)C(C)C)C3=CC=CC=C3C(=O)[O-])C(C)C)O)CN(CC(=O)O)CC(=O)O.[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1/C(=C/2\C=C(C(=O)C(=C2C)CN(CC(=O)O)CC(=O)O)C(C)C)/C3=CC=CC=C3C(=O)[O-])C(C)C)O)CN(CC(=O)O)CC(=O)O.[Na+]

InChI

InChI=1S/C38H44N2O12.Na/c1-19(2)25-11-27(21(5)29(36(25)49)13-39(15-31(41)42)16-32(43)44)35(23-9-7-8-10-24(23)38(51)52)28-12-26(20(3)4)37(50)30(22(28)6)14-40(17-33(45)46)18-34(47)48;/h7-12,19-20,49H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,51,52);/q;+1/p-1/b35-28+;