4-[2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,6-dimethyl-4-[(E)-2-(2-thienyl)vinyl]phenoxy]-4-oxo-butanoic acid CAS Name: 4-[2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenoxy]-4-oxobutanoic acid IUPAC Name: 4-[2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenoxy]-4-oxobutanoic acid Traditional Name: 4-[2,6-dimethyl-4-[(E)-2-(2-thienyl)vinyl]phenoxy]-4-keto-butyric acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCC(=O)O)C)C=CC2=CC=CS2

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCC(=O)O)C)/C=C/C2=CC=CS2

InChI

InChI=1S/C18H18O4S/c1-12-10-14(5-6-15-4-3-9-23-15)11-13(2)18(12)22-17(21)8-7-16(19)20/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/b6-5+