2-methylidenebutanoate; (E)-2-[(E)-2-phenylethenyl]hept-2-enoic acid

Systemtic Name: 2-methylidenebutanoate; (E)-2-[(E)-2-phenylethenyl]hept-2-enoic acid Openeye Name: 2-methylenebutanoate; (E)-2-[(E)-styryl]hept-2-enoic acid CAS Name: 2-methylenebutanoate; (E)-2-[(E)-2-phenylethenyl]-2-heptenoic acid IUPAC Name: 2-methylidenebutanoate; (E)-2-[(E)-2-phenylethenyl]hept-2-enoic acid Traditional Name: 2-ethylacrylate; (E)-2-[(E)-styryl]hept-2-enoic acid Formula: C20H25O4- MolecularWeight: 329.4101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(C=CC1=CC=CC=C1)C(=O)O.CCC(=C)C(=O)[O-]

Isomeric SMILES

CCCC/C=C(\C=C\C1=CC=CC=C1)/C(=O)O.CCC(=C)C(=O)[O-]

InChI

InChI=1S/C15H18O2.C5H8O2/c1-2-3-5-10-14(15(16)17)12-11-13-8-6-4-7-9-13;1-3-4(2)5(6)7/h4,6-12H,2-3,5H2,1H3,(H,16,17);2-3H2,1H3,(H,6,7)/p-1/b12-11+,14-10+;