3-[oxidanyl-(phenylmethyl)phosphoryl]-2-(oxolan-2-ylmethyl)hex-5-enoic acid

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-(oxolan-2-ylmethyl)hex-5-enoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-(tetrahydrofuran-2-ylmethyl)hex-5-enoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(2-oxolanylmethyl)-5-hexenoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-(oxolan-2-ylmethyl)hex-5-enoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-(tetrahydrofurfuryl)hex-5-enoic acid Formula: C18H25O5P MolecularWeight: 352.361861

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCCO1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

C=CCC(C(CC1CCCO1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C18H25O5P/c1-2-7-17(16(18(19)20)12-15-10-6-11-23-15)24(21,22)13-14-8-4-3-5-9-14/h2-5,8-9,15-17H,1,6-7,10-13H2,(H,19,20)(H,21,22)