5-cyclohexyl-2-oxidanyl-benzoic acid; propan-2-ylbenzene

Systemtic Name: 5-cyclohexyl-2-oxidanyl-benzoic acid; propan-2-ylbenzene Openeye Name: cumene; 5-cyclohexyl-2-hydroxy-benzoic acid CAS Name: cumene; 5-cyclohexyl-2-hydroxybenzoic acid IUPAC Name: cumene; 5-cyclohexyl-2-hydroxybenzoic acid Traditional Name: cumene; 5-cyclohexyl-2-hydroxy-benzoic acid Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1.C1CCC(CC1)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1.C1CCC(CC1)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H16O3.C9H12/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9;1-8(2)9-6-4-3-5-7-9/h6-9,14H,1-5H2,(H,15,16);3-8H,1-2H3