[4-(2-methylbutyl)phenyl] 2-chloranyl-4-oxidanyl-benzoate

Systemtic Name: [4-(2-methylbutyl)phenyl] 2-chloranyl-4-oxidanyl-benzoate Openeye Name: [4-(2-methylbutyl)phenyl] 2-chloro-4-hydroxy-benzoate CAS Name: 2-chloro-4-hydroxybenzoic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 2-chloro-4-hydroxybenzoate Traditional Name: 2-chloro-4-hydroxy-benzoic acid [4-(2-methylbutyl)phenyl] ester Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)O)Cl

Isomeric SMILES

CCC(C)CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)O)Cl

InChI

InChI=1S/C18H19ClO3/c1-3-12(2)10-13-4-7-15(8-5-13)22-18(21)16-9-6-14(20)11-17(16)19/h4-9,11-12,20H,3,10H2,1-2H3