2-[(E)-1-[(2-hydroxyphenyl)methyl-oxidanyl-phosphoryl]but-2-enyl]pentanedioic acid

Systemtic Name: 2-[(E)-1-[(2-hydroxyphenyl)methyl-oxidanyl-phosphoryl]but-2-enyl]pentanedioic acid Openeye Name: 2-[(E)-1-[hydroxy-[(2-hydroxyphenyl)methyl]phosphoryl]but-2-enyl]pentanedioic acid CAS Name: 2-[(E)-1-[hydroxy-[(2-hydroxyphenyl)methyl]phosphoryl]but-2-enyl]pentanedioic acid IUPAC Name: 2-[(E)-1-[hydroxy-[(2-hydroxyphenyl)methyl]phosphoryl]but-2-enyl]pentanedioic acid Traditional Name: 2-[(E)-1-[hydroxy(salicyl)phosphoryl]but-2-enyl]glutaric acid Formula: C16H21O7P MolecularWeight: 356.307501

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(CCC(=O)O)C(=O)O)P(=O)(CC1=CC=CC=C1O)O

Isomeric SMILES

C/C=C/C(C(CCC(=O)O)C(=O)O)P(=O)(CC1=CC=CC=C1O)O

InChI

InChI=1S/C16H21O7P/c1-2-5-14(12(16(20)21)8-9-15(18)19)24(22,23)10-11-6-3-4-7-13(11)17/h2-7,12,14,17H,8-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)/b5-2+