[3-chloranyl-4-(8-oxidanylidene-7-propanoyl-decoxy)phenyl] benzoate

Systemtic Name: [3-chloranyl-4-(8-oxidanylidene-7-propanoyl-decoxy)phenyl] benzoate Openeye Name: [3-chloro-4-(8-oxo-7-propanoyl-decoxy)phenyl] benzoate CAS Name: benzoic acid [3-chloro-4-[8-oxo-7-(1-oxopropyl)decoxy]phenyl] ester IUPAC Name: [3-chloro-4-(8-oxo-7-propanoyldecoxy)phenyl] benzoate Traditional Name: benzoic acid [3-chloro-4-(8-keto-7-propionyl-decoxy)phenyl] ester Formula: C26H31ClO5 MolecularWeight: 458.97434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)Cl)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)Cl)C(=O)CC

InChI

InChI=1S/C26H31ClO5/c1-3-23(28)21(24(29)4-2)14-10-5-6-11-17-31-25-16-15-20(18-22(25)27)32-26(30)19-12-8-7-9-13-19/h7-9,12-13,15-16,18,21H,3-6,10-11,14,17H2,1-2H3