4-oxidanyl-2-propyl-benzoic acid; propyl 4-oxidanylbenzoate

Systemtic Name: 4-oxidanyl-2-propyl-benzoic acid; propyl 4-oxidanylbenzoate Openeye Name: 4-hydroxy-2-propyl-benzoic acid; propyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid propyl ester; 4-hydroxy-2-propylbenzoic acid IUPAC Name: 4-hydroxy-2-propylbenzoic acid; propyl 4-hydroxybenzoate Traditional Name: 4-hydroxy-2-propyl-benzoic acid; propylparaben Formula: C20H24O6 MolecularWeight: 360.40096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)O)C(=O)O.CCCOC(=O)C1=CC=C(C=C1)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)O)C(=O)O.CCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/2C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-2-3-7-6-8(11)4-5-9(7)10(12)13/h3-6,11H,2,7H2,1H3;4-6,11H,2-3H2,1H3,(H,12,13)