(E)-3-phenylprop-2-enoate; [(E)-1,1,1-tris(oxidanyl)-3-oxidanylidene-icos-11-en-2-yl]azanium

Systemtic Name: (E)-3-phenylprop-2-enoate; [(E)-1,1,1-tris(oxidanyl)-3-oxidanylidene-icos-11-en-2-yl]azanium Openeye Name: [(E)-2-oxo-1-(trihydroxymethyl)nonadec-10-enyl]ammonium; (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoate; [(E)-1,1,1-trihydroxy-3-oxoeicos-11-en-2-yl]ammonium IUPAC Name: (E)-3-phenylprop-2-enoate; [(E)-1,1,1-trihydroxy-3-oxoicos-11-en-2-yl]azanium Traditional Name: [(E)-2-keto-1-(trihydroxymethyl)nonadec-10-enyl]ammonium; (E)-3-phenylacrylate Formula: C29H47NO6 MolecularWeight: 505.68658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H39NO4.C9H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22)19(21)20(23,24)25;10-9(11)7-6-8-4-2-1-3-5-8/h9-10,19,23-25H,2-8,11-17,21H2,1H3;1-7H,(H,10,11)/b10-9+;7-6+