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2-[1-[oxidanyl-(phenylmethyl)phosphoryl]heptyl]octanedioic acid

2-[1-[oxidanyl-(phenylmethyl)phosphoryl]heptyl]octanedioic acid

Systemtic Name:2-[1-[oxidanyl-(phenylmethyl)phosphoryl]heptyl]octanedioic acid
Openeye Name:2-[1-[benzyl(hydroxy)phosphoryl]heptyl]octanedioic acid
CAS Name:2-[1-[hydroxy-(phenylmethyl)phosphoryl]heptyl]octanedioic acid
IUPAC Name:2-[1-[benzyl(hydroxy)phosphoryl]heptyl]octanedioic acid
Traditional Name:2-[1-[benzyl(hydroxy)phosphoryl]heptyl]suberic acid
Formula: C22H35O6P
MolecularWeight: 426.483461
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCCC(=O)O)C(=O)O)P(=O)(CC1=CC=CC=C1)O


Isomeric SMILES

CCCCCCC(C(CCCCCC(=O)O)C(=O)O)P(=O)(CC1=CC=CC=C1)O


InChI

InChI=1S/C22H35O6P/c1-2-3-4-10-15-20(29(27,28)17-18-12-7-5-8-13-18)19(22(25)26)14-9-6-11-16-21(23)24/h5,7-8,12-13,19-20H,2-4,6,9-11,14-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)


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