2-acetyloxybenzoic acid; (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid

Systemtic Name: 2-acetyloxybenzoic acid; (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid Openeye Name: 2-acetoxybenzoic acid; (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid CAS Name: 2-acetyloxybenzoic acid; (E)-2-cyano-3-(3-hydroxyphenyl)-2-propenoic acid IUPAC Name: 2-acetyloxybenzoic acid; (E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoic acid Traditional Name: 2-acetoxybenzoic acid; (E)-2-cyano-3-(3-hydroxyphenyl)acrylic acid Formula: C19H15NO7 MolecularWeight: 369.3249

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C1=CC(=CC(=C1)O)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C10H7NO3.C9H8O4/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h1-5,12H,(H,13,14);2-5H,1H3,(H,11,12)/b8-4+;