2-methoxycarbonyl-2-phenethyl-butanedioic acid

Systemtic Name: 2-methoxycarbonyl-2-phenethyl-butanedioic acid Openeye Name: 2-methoxycarbonyl-2-phenethyl-butanedioic acid CAS Name: 2-methoxycarbonyl-2-phenethylbutanedioic acid IUPAC Name: 2-methoxycarbonyl-2-phenethylbutanedioic acid Traditional Name: 2-carbomethoxy-2-phenethyl-succinic acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=C1)(CC(=O)O)C(=O)O

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=C1)(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16O6/c1-20-13(19)14(12(17)18,9-11(15)16)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,16)(H,17,18)