2-[5-[2-(1-chloranylcyclohexa-2,4-dien-1-yl)ethanoyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[2-(1-chloranylcyclohexa-2,4-dien-1-yl)ethanoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[2-(1-chlorocyclohexa-2,4-dien-1-yl)acetyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[2-(1-chloro-1-cyclohexa-2,4-dienyl)-1-oxoethyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[2-(1-chlorocyclohexa-2,4-dien-1-yl)acetyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[2-(1-chlorocyclohexa-2,4-dien-1-yl)acetyl]-2-methoxy-phenyl]acetic acid Formula: C17H17ClO4 MolecularWeight: 320.76748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC2(CC=CC=C2)Cl)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC2(CC=CC=C2)Cl)CC(=O)O

InChI

InChI=1S/C17H17ClO4/c1-22-15-6-5-12(9-13(15)10-16(20)21)14(19)11-17(18)7-3-2-4-8-17/h2-7,9H,8,10-11H2,1H3,(H,20,21)