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

Systemtic Name: 2-[(E)-2-phenylethenyl]octadecanoate; prop-2-enoic acid Openeye Name: acrylic acid; 2-[(E)-styryl]octadecanoate CAS Name: 2-[(E)-2-phenylethenyl]octadecanoate; 2-propenoic acid IUPAC Name: 2-[(E)-2-phenylethenyl]octadecanoate; prop-2-enoic acid Traditional Name: acrylic acid; (E)-2-cetyl-4-phenyl-but-3-enoate Formula: C29H45O4- MolecularWeight: 457.6652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O2.C3H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(26(27)28)23-22-24-19-16-15-17-20-24;1-2-3(4)5/h15-17,19-20,22-23,25H,2-14,18,21H2,1H3,(H,27,28);2H,1H2,(H,4,5)/p-1/b23-22+;