3-(2-methylheptan-2-yl)-2-oxidanyl-6-phenyl-benzoic acid

Systemtic Name: 3-(2-methylheptan-2-yl)-2-oxidanyl-6-phenyl-benzoic acid Openeye Name: 3-(1,1-dimethylhexyl)-2-hydroxy-6-phenyl-benzoic acid CAS Name: 2-hydroxy-3-(2-methylheptan-2-yl)-6-phenylbenzoic acid IUPAC Name: 2-hydroxy-3-(2-methylheptan-2-yl)-6-phenylbenzoic acid Traditional Name: 3-(1,1-dimethylhexyl)-2-hydroxy-6-phenyl-benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C(C(=C(C=C1)C2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CCCCCC(C)(C)C1=C(C(=C(C=C1)C2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C21H26O3/c1-4-5-9-14-21(2,3)17-13-12-16(15-10-7-6-8-11-15)18(19(17)22)20(23)24/h6-8,10-13,22H,4-5,9,14H2,1-3H3,(H,23,24)