(E)-3-ethyl-2-naphthalen-1-yl-3-[oxidanyl-(phenylmethyl)phosphoryl]hex-4-enoic acid

Systemtic Name: (E)-3-ethyl-2-naphthalen-1-yl-3-[oxidanyl-(phenylmethyl)phosphoryl]hex-4-enoic acid Openeye Name: (E)-3-[benzyl(hydroxy)phosphoryl]-3-ethyl-2-(1-naphthyl)hex-4-enoic acid CAS Name: (E)-3-ethyl-3-[hydroxy-(phenylmethyl)phosphoryl]-2-(1-naphthalenyl)-4-hexenoic acid IUPAC Name: (E)-3-[benzyl(hydroxy)phosphoryl]-3-ethyl-2-naphthalen-1-ylhex-4-enoic acid Traditional Name: (E)-3-[benzyl(hydroxy)phosphoryl]-3-ethyl-2-(1-naphthyl)hex-4-enoic acid Formula: C25H27O4P MolecularWeight: 422.453241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC)(C(C1=CC=CC2=CC=CC=C21)C(=O)O)P(=O)(CC3=CC=CC=C3)O

Isomeric SMILES

CCC(/C=C/C)(C(C1=CC=CC2=CC=CC=C21)C(=O)O)P(=O)(CC3=CC=CC=C3)O

InChI

InChI=1S/C25H27O4P/c1-3-17-25(4-2,30(28,29)18-19-11-6-5-7-12-19)23(24(26)27)22-16-10-14-20-13-8-9-15-21(20)22/h3,5-17,23H,4,18H2,1-2H3,(H,26,27)(H,28,29)/b17-3+