4-oxidanylbenzoate; propyl 4-oxidanylbenzoate

Systemtic Name: 4-oxidanylbenzoate; propyl 4-oxidanylbenzoate Openeye Name: 4-hydroxybenzoate; propyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoate; 4-hydroxybenzoic acid propyl ester IUPAC Name: 4-hydroxybenzoate; propyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoate; propylparaben Formula: C17H17O6- MolecularWeight: 317.31328

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)O.C1=CC(=CC=C1C(=O)[O-])O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)O.C1=CC(=CC=C1C(=O)[O-])O

InChI

InChI=1S/C10H12O3.C7H6O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;8-6-3-1-5(2-4-6)7(9)10/h3-6,11H,2,7H2,1H3;1-4,8H,(H,9,10)/p-1