(2E)-2-[5-butoxy-1-(4-methylphenyl)-1-oxidanylidene-pentan-3-ylidene]butanedioic acid

Systemtic Name: (2E)-2-[5-butoxy-1-(4-methylphenyl)-1-oxidanylidene-pentan-3-ylidene]butanedioic acid Openeye Name: (2E)-2-[1-(2-butoxyethyl)-3-oxo-3-(p-tolyl)propylidene]butanedioic acid CAS Name: (2E)-2-[5-butoxy-1-(4-methylphenyl)-1-oxopentan-3-ylidene]butanedioic acid IUPAC Name: (2E)-2-[5-butoxy-1-(4-methylphenyl)-1-oxopentan-3-ylidene]butanedioic acid Traditional Name: (2E)-2-[1-(2-butoxyethyl)-3-keto-3-(p-tolyl)propylidene]succinic acid Formula: C20H26O6 MolecularWeight: 362.41684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC(=C(CC(=O)O)C(=O)O)CC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOCC/C(=C(/CC(=O)O)\C(=O)O)/CC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H26O6/c1-3-4-10-26-11-9-16(17(20(24)25)13-19(22)23)12-18(21)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,22,23)(H,24,25)/b17-16+