(E)-3-(5-methyl-2-oxidanyl-phenyl)-4-[oxidanidyl(phenethyl)phosphoryl]but-2-enoate

Systemtic Name: (E)-3-(5-methyl-2-oxidanyl-phenyl)-4-[oxidanidyl(phenethyl)phosphoryl]but-2-enoate Openeye Name: (E)-3-(2-hydroxy-5-methyl-phenyl)-4-[oxido(phenethyl)phosphoryl]but-2-enoate CAS Name: (E)-3-(2-hydroxy-5-methylphenyl)-4-[oxido(phenethyl)phosphoryl]-2-butenoate IUPAC Name: (E)-3-(2-hydroxy-5-methylphenyl)-4-[oxido(phenethyl)phosphoryl]but-2-enoate Traditional Name: (E)-3-(2-hydroxy-5-methyl-phenyl)-4-[oxido(phenethyl)phosphoryl]but-2-enoate Formula: C19H19O5P-2 MolecularWeight: 358.324921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=CC(=O)[O-])CP(=O)(CCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)/C(=C\C(=O)[O-])/CP(=O)(CCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C19H21O5P/c1-14-7-8-18(20)17(11-14)16(12-19(21)22)13-25(23,24)10-9-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3,(H,21,22)(H,23,24)/p-2/b16-12-