4-[1-(4-chlorophenyl)-4-methyl-pentoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-chlorophenyl)-4-methyl-pentoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(4-chlorophenyl)-4-methyl-pentoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(4-chlorophenyl)-4-methylpentoxy]-4-oxobutanoic acid IUPAC Name: 4-[1-(4-chlorophenyl)-4-methylpentoxy]-4-oxobutanoic acid Traditional Name: 4-[1-(4-chlorophenyl)-4-methyl-pentoxy]-4-keto-butyric acid Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)CCC(=O)O

Isomeric SMILES

CC(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)CCC(=O)O

InChI

InChI=1S/C16H21ClO4/c1-11(2)3-8-14(12-4-6-13(17)7-5-12)21-16(20)10-9-15(18)19/h4-7,11,14H,3,8-10H2,1-2H3,(H,18,19)