10-(5-chloranyl-3-methyl-2-oxidanyl-phenyl)-10-oxidanylidene-decanoate

Systemtic Name: 10-(5-chloranyl-3-methyl-2-oxidanyl-phenyl)-10-oxidanylidene-decanoate Openeye Name: 10-(5-chloro-2-hydroxy-3-methyl-phenyl)-10-oxo-decanoate CAS Name: 10-(5-chloro-2-hydroxy-3-methylphenyl)-10-oxodecanoate IUPAC Name: 10-(5-chloro-2-hydroxy-3-methylphenyl)-10-oxodecanoate Traditional Name: 10-(5-chloro-2-hydroxy-3-methyl-phenyl)-10-keto-caprate Formula: C17H22ClO4- MolecularWeight: 325.80718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Cl)C(=O)CCCCCCCCC(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)Cl)C(=O)CCCCCCCCC(=O)[O-])O

InChI

InChI=1S/C17H23ClO4/c1-12-10-13(18)11-14(17(12)22)15(19)8-6-4-2-3-5-7-9-16(20)21/h10-11,22H,2-9H2,1H3,(H,20,21)/p-1