hexan-2-yl 4-oxidanylbenzoate

Systemtic Name: hexan-2-yl 4-oxidanylbenzoate Openeye Name: 1-methylpentyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid 1-methylpentyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-3-4-5-10(2)16-13(15)11-6-8-12(14)9-7-11/h6-10,14H,3-5H2,1-2H3