sodium 4-(4-methoxyphenyl)carbonyl-4-methyl-heptanedioic acid

Systemtic Name: sodium 4-(4-methoxyphenyl)carbonyl-4-methyl-heptanedioic acid Openeye Name: sodium 4-(4-methoxybenzoyl)-4-methyl-heptanedioic acid CAS Name: sodium 4-[(4-methoxyphenyl)-oxomethyl]-4-methylheptanedioic acid IUPAC Name: sodium 4-(4-methoxybenzoyl)-4-methylheptanedioic acid Traditional Name: sodium 4-methyl-4-p-anisoyl-pimelic acid Formula: C16H20NaO6+ MolecularWeight: 331.31617

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(CCC(=O)O)C(=O)C1=CC=C(C=C1)OC.[Na+]

Isomeric SMILES

CC(CCC(=O)O)(CCC(=O)O)C(=O)C1=CC=C(C=C1)OC.[Na+]

InChI

InChI=1S/C16H20O6.Na/c1-16(9-7-13(17)18,10-8-14(19)20)15(21)11-3-5-12(22-2)6-4-11;/h3-6H,7-10H2,1-2H3,(H,17,18)(H,19,20);/q;+1