2-[1-[1-naphthalen-2-ylethyl(oxidanyl)phosphoryl]but-3-enyl]pentanedioic acid

Systemtic Name: 2-[1-[1-naphthalen-2-ylethyl(oxidanyl)phosphoryl]but-3-enyl]pentanedioic acid Openeye Name: 2-[1-[hydroxy-[1-(2-naphthyl)ethyl]phosphoryl]but-3-enyl]pentanedioic acid CAS Name: 2-[1-[hydroxy-[1-(2-naphthalenyl)ethyl]phosphoryl]but-3-enyl]pentanedioic acid IUPAC Name: 2-[1-[hydroxy(1-naphthalen-2-ylethyl)phosphoryl]but-3-enyl]pentanedioic acid Traditional Name: 2-[1-[hydroxy-[1-(2-naphthyl)ethyl]phosphoryl]but-3-enyl]glutaric acid Formula: C21H25O6P MolecularWeight: 404.393361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)P(=O)(C(CC=C)C(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)P(=O)(C(CC=C)C(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C21H25O6P/c1-3-6-19(18(21(24)25)11-12-20(22)23)28(26,27)14(2)16-10-9-15-7-4-5-8-17(15)13-16/h3-5,7-10,13-14,18-19H,1,6,11-12H2,2H3,(H,22,23)(H,24,25)(H,26,27)