2-[2-[(E)-4-(3-methylphenyl)-3-oxidanylidene-but-1-enyl]-5-oxidanyl-cyclopentyl]ethanoic acid

Systemtic Name: 2-[2-[(E)-4-(3-methylphenyl)-3-oxidanylidene-but-1-enyl]-5-oxidanyl-cyclopentyl]ethanoic acid Openeye Name: 2-[2-hydroxy-5-[(E)-4-(m-tolyl)-3-oxo-but-1-enyl]cyclopentyl]acetic acid CAS Name: 2-[2-hydroxy-5-[(E)-4-(3-methylphenyl)-3-oxobut-1-enyl]cyclopentyl]acetic acid IUPAC Name: 2-[2-hydroxy-5-[(E)-4-(3-methylphenyl)-3-oxobut-1-enyl]cyclopentyl]acetic acid Traditional Name: 2-[2-hydroxy-5-[(E)-3-keto-4-(m-tolyl)but-1-enyl]cyclopentyl]acetic acid Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)C=CC2CCC(C2CC(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)/C=C/C2CCC(C2CC(=O)O)O

InChI

InChI=1S/C18H22O4/c1-12-3-2-4-13(9-12)10-15(19)7-5-14-6-8-17(20)16(14)11-18(21)22/h2-5,7,9,14,16-17,20H,6,8,10-11H2,1H3,(H,21,22)/b7-5+