2-[(3,4-dimethoxyphenyl)methyl]-2,3-diethyl-3-phosphono-butanedioic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-2,3-diethyl-3-phosphono-butanedioic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-2,3-diethyl-3-phosphono-butanedioic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-2,3-diethyl-3-phosphonobutanedioic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-2,3-diethyl-3-phosphonobutanedioic acid Traditional Name: 2,3-diethyl-2-phosphono-3-veratryl-succinic acid Formula: C17H25O9P MolecularWeight: 404.348761

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)OC)OC)(C(=O)O)C(CC)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)OC)OC)(C(=O)O)C(CC)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C17H25O9P/c1-5-16(14(18)19,17(6-2,15(20)21)27(22,23)24)10-11-7-8-12(25-3)13(9-11)26-4/h7-9H,5-6,10H2,1-4H3,(H,18,19)(H,20,21)(H2,22,23,24)