3-oxidanylheptan-3-yl 4-oxidanylbenzoate

Systemtic Name: 3-oxidanylheptan-3-yl 4-oxidanylbenzoate Openeye Name: (1-ethyl-1-hydroxy-pentyl) 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid 3-hydroxyheptan-3-yl ester IUPAC Name: 3-hydroxyheptan-3-yl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (1-ethyl-1-hydroxy-pentyl) ester Formula: C14H20O4 MolecularWeight: 252.3062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4/c1-3-5-10-14(17,4-2)18-13(16)11-6-8-12(15)9-7-11/h6-9,15,17H,3-5,10H2,1-2H3