2-chloranyl-4-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]benzoic acid Openeye Name: 2-chloro-4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzoic acid CAS Name: 2-chloro-4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]benzoic acid IUPAC Name: 2-chloro-4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]benzoic acid Traditional Name: 2-chloro-4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzoic acid Formula: C25H33ClO4 MolecularWeight: 432.98012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C25H33ClO4/c1-7-25(8-2,18-9-11-19(23(28)29)20(26)14-18)17-10-12-21(16(3)13-17)30-15-22(27)24(4,5)6/h9-14,22,27H,7-8,15H2,1-6H3,(H,28,29)