4-chloranylbenzaldehyde; (E)-3-(4-methanoylphenyl)prop-2-enoic acid

Systemtic Name: 4-chloranylbenzaldehyde; (E)-3-(4-methanoylphenyl)prop-2-enoic acid Openeye Name: 4-chlorobenzaldehyde; (E)-3-(4-formylphenyl)prop-2-enoic acid CAS Name: 4-chlorobenzaldehyde; (E)-3-(4-formylphenyl)-2-propenoic acid IUPAC Name: 4-chlorobenzaldehyde; (E)-3-(4-formylphenyl)prop-2-enoic acid Traditional Name: 4-chlorobenzaldehyde; (E)-3-(4-formylphenyl)acrylic acid Formula: C17H13ClO4 MolecularWeight: 316.73572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)C=O.C1=CC(=CC=C1C=O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C=O.C1=CC(=CC=C1C=O)Cl

InChI

InChI=1S/C10H8O3.C7H5ClO/c11-7-9-3-1-8(2-4-9)5-6-10(12)13;8-7-3-1-6(5-9)2-4-7/h1-7H,(H,12,13);1-5H/b6-5+;