ethenylbenzene; 4-oxidanylidene-4-(phenylcarbonyloxy)butanoic acid; prop-2-en-1-ol

Systemtic Name: ethenylbenzene; 4-oxidanylidene-4-(phenylcarbonyloxy)butanoic acid; prop-2-en-1-ol Openeye Name: 4-benzoyloxy-4-oxo-butanoic acid; prop-2-en-1-ol; styrene CAS Name: 4-benzoyloxy-4-oxobutanoic acid; 2-propen-1-ol; styrene IUPAC Name: 4-benzoyloxy-4-oxobutanoic acid; prop-2-en-1-ol; styrene Traditional Name: 4-benzoyloxy-4-keto-butyric acid; prop-2-en-1-ol; styrene Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

C=CCO.C=CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)OC(=O)CCC(=O)O

Isomeric SMILES

C=CCO.C=CC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)OC(=O)CCC(=O)O

InChI

InChI=1S/C11H10O5.C8H8.C3H6O/c12-9(13)6-7-10(14)16-11(15)8-4-2-1-3-5-8;1-2-8-6-4-3-5-7-8;1-2-3-4/h1-5H,6-7H2,(H,12,13);2-7H,1H2;2,4H,1,3H2