(Z)-2-methylhenicos-2-enoate; (E)-2-methyl-3-phenyl-prop-2-enoate

Systemtic Name: (Z)-2-methylhenicos-2-enoate; (E)-2-methyl-3-phenyl-prop-2-enoate Openeye Name: (Z)-2-methylhenicos-2-enoate; (E)-2-methyl-3-phenyl-prop-2-enoate CAS Name: (Z)-2-methyl-2-heneicosenoate; (E)-2-methyl-3-phenyl-2-propenoate IUPAC Name: (Z)-2-methylhenicos-2-enoate; (E)-2-methyl-3-phenylprop-2-enoate Traditional Name: (Z)-2-methylheneicos-2-enoate; (E)-2-methyl-3-phenyl-acrylate Formula: C32H50O4-2 MolecularWeight: 498.737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O2.C10H10O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(23)24;1-8(10(11)12)7-9-5-3-2-4-6-9/h20H,3-19H2,1-2H3,(H,23,24);2-7H,1H3,(H,11,12)/p-2/b21-20-;8-7+