2-methylideneheptanoate; [(E)-2-phenylethenyl]azanium; prop-2-enoic acid

Systemtic Name: 2-methylideneheptanoate; [(E)-2-phenylethenyl]azanium; prop-2-enoic acid Openeye Name: acrylic acid; 2-methyleneheptanoate; [(E)-styryl]ammonium CAS Name: 2-methyleneheptanoate; [(E)-2-phenylethenyl]ammonium; 2-propenoic acid IUPAC Name: 2-methylideneheptanoate; [(E)-2-phenylethenyl]azanium; prop-2-enoic acid Traditional Name: acrylic acid; 2-amylacrylate; [(E)-styryl]ammonium Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C)C(=O)[O-].C=CC(=O)O.C1=CC=C(C=C1)C=C[NH3+]

Isomeric SMILES

CCCCCC(=C)C(=O)[O-].C=CC(=O)O.C1=CC=C(C=C1)/C=C/[NH3+]

InChI

InChI=1S/C8H9N.C8H14O2.C3H4O2/c9-7-6-8-4-2-1-3-5-8;1-3-4-5-6-7(2)8(9)10;1-2-3(4)5/h1-7H,9H2;2-6H2,1H3,(H,9,10);2H,1H2,(H,4,5)/b7-6+;;