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2-[1-[oxidanyl-(phenylmethyl)phosphoryl]butyl]decanedioic acid

2-[1-[oxidanyl-(phenylmethyl)phosphoryl]butyl]decanedioic acid

Systemtic Name:2-[1-[oxidanyl-(phenylmethyl)phosphoryl]butyl]decanedioic acid
Openeye Name:2-[1-[benzyl(hydroxy)phosphoryl]butyl]decanedioic acid
CAS Name:2-[1-[hydroxy-(phenylmethyl)phosphoryl]butyl]decanedioic acid
IUPAC Name:2-[1-[benzyl(hydroxy)phosphoryl]butyl]decanedioic acid
Traditional Name:2-[1-[benzyl(hydroxy)phosphoryl]butyl]sebacic acid
Formula: C21H33O6P
MolecularWeight: 412.456881
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCCCCCCC(=O)O)C(=O)O)P(=O)(CC1=CC=CC=C1)O


Isomeric SMILES

CCCC(C(CCCCCCCC(=O)O)C(=O)O)P(=O)(CC1=CC=CC=C1)O


InChI

InChI=1S/C21H33O6P/c1-2-11-19(28(26,27)16-17-12-7-6-8-13-17)18(21(24)25)14-9-4-3-5-10-15-20(22)23/h6-8,12-13,18-19H,2-5,9-11,14-16H2,1H3,(H,22,23)(H,24,25)(H,26,27)


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