[4-(4-methylthiophen-2-yl)phenyl] 6-oxidanylidenehexanoate

Systemtic Name: [4-(4-methylthiophen-2-yl)phenyl] 6-oxidanylidenehexanoate Openeye Name: [4-(4-methyl-2-thienyl)phenyl] 6-oxohexanoate CAS Name: 6-oxohexanoic acid [4-(4-methyl-2-thiophenyl)phenyl] ester IUPAC Name: [4-(4-methylthiophen-2-yl)phenyl] 6-oxohexanoate Traditional Name: 6-ketohexanoic acid [4-(4-methyl-2-thienyl)phenyl] ester Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC=C(C=C2)OC(=O)CCCCC=O

Isomeric SMILES

CC1=CSC(=C1)C2=CC=C(C=C2)OC(=O)CCCCC=O

InChI

InChI=1S/C17H18O3S/c1-13-11-16(21-12-13)14-6-8-15(9-7-14)20-17(19)5-3-2-4-10-18/h6-12H,2-5H2,1H3