3-hexan-2-yl-5-(4-methylpentyl)-2-oxidanyl-benzoic acid

Systemtic Name: 3-hexan-2-yl-5-(4-methylpentyl)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-isohexyl-3-(1-methylpentyl)benzoic acid CAS Name: 3-hexan-2-yl-2-hydroxy-5-(4-methylpentyl)benzoic acid IUPAC Name: 3-hexan-2-yl-2-hydroxy-5-(4-methylpentyl)benzoic acid Traditional Name: 2-hydroxy-5-isohexyl-3-(1-methylpentyl)benzoic acid Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=C(C(=CC(=C1)CCCC(C)C)C(=O)O)O

Isomeric SMILES

CCCCC(C)C1=C(C(=CC(=C1)CCCC(C)C)C(=O)O)O

InChI

InChI=1S/C19H30O3/c1-5-6-9-14(4)16-11-15(10-7-8-13(2)3)12-17(18(16)20)19(21)22/h11-14,20H,5-10H2,1-4H3,(H,21,22)