1-phenylpentan-1-ol; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 1-phenylpentan-1-ol; 3,4,5-tris(oxidanyl)benzoate Openeye Name: 1-phenylpentan-1-ol; 3,4,5-trihydroxybenzoate CAS Name: 1-phenyl-1-pentanol; 3,4,5-trihydroxybenzoate IUPAC Name: 1-phenylpentan-1-ol; 3,4,5-trihydroxybenzoate Traditional Name: 1-phenylpentan-1-ol; 3,4,5-trihydroxybenzoate Formula: C18H21O6- MolecularWeight: 333.35574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)O.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CCCCC(C1=CC=CC=C1)O.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C11H16O.C7H6O5/c1-2-3-9-11(12)10-7-5-4-6-8-10;8-4-1-3(7(11)12)2-5(9)6(4)10/h4-8,11-12H,2-3,9H2,1H3;1-2,8-10H,(H,11,12)/p-1