5-[5-[(4-methylphenyl)methyl]thiophen-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-[(4-methylphenyl)methyl]thiophen-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-[5-(p-tolylmethyl)-2-thienyl]pentanoic acid CAS Name: 5-[5-[(4-methylphenyl)methyl]-2-thiophenyl]-5-oxopentanoic acid IUPAC Name: 5-[5-[(4-methylphenyl)methyl]thiophen-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[5-(4-methylbenzyl)-2-thienyl]valeric acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC=C(S2)C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC=C(S2)C(=O)CCCC(=O)O

InChI

InChI=1S/C17H18O3S/c1-12-5-7-13(8-6-12)11-14-9-10-16(21-14)15(18)3-2-4-17(19)20/h5-10H,2-4,11H2,1H3,(H,19,20)