5-butan-2-yl-2-oxidanyl-3-(phenylmethyl)benzoic acid

Systemtic Name: 5-butan-2-yl-2-oxidanyl-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-2-hydroxy-5-sec-butyl-benzoic acid CAS Name: 5-butan-2-yl-2-hydroxy-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-5-butan-2-yl-2-hydroxybenzoic acid Traditional Name: 3-benzyl-2-hydroxy-5-sec-butyl-benzoic acid Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=CC=CC=C2

InChI

InChI=1S/C18H20O3/c1-3-12(2)14-10-15(9-13-7-5-4-6-8-13)17(19)16(11-14)18(20)21/h4-8,10-12,19H,3,9H2,1-2H3,(H,20,21)