3-methylidene-2-(2-oxidanylidenebutyl)-2-(phenylmethyl)butanedioic acid

Systemtic Name: 3-methylidene-2-(2-oxidanylidenebutyl)-2-(phenylmethyl)butanedioic acid Openeye Name: 2-benzyl-3-methylene-2-(2-oxobutyl)butanedioic acid CAS Name: 3-methylene-2-(2-oxobutyl)-2-(phenylmethyl)butanedioic acid IUPAC Name: 2-benzyl-3-methylidene-2-(2-oxobutyl)butanedioic acid Traditional Name: 2-benzyl-2-(2-ketobutyl)-3-methylene-succinic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(CC1=CC=CC=C1)(C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)CC(CC1=CC=CC=C1)(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O5/c1-3-13(17)10-16(15(20)21,11(2)14(18)19)9-12-7-5-4-6-8-12/h4-8H,2-3,9-10H2,1H3,(H,18,19)(H,20,21)