[4-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-hexan-3-yl]phosphonic acid

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-hexan-3-yl]phosphonic acid Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl]-1-ethoxycarbonyl-1-ethyl-butyl]phosphonic acid CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonylhexan-3-yl]phosphonic acid IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonylhexan-3-yl]phosphonic acid Traditional Name: (1-carbethoxy-1-ethyl-2-veratryl-butyl)phosphonic acid Formula: C18H29O7P MolecularWeight: 388.392421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29O7P/c1-6-14(11-13-9-10-15(23-4)16(12-13)24-5)18(7-2,26(20,21)22)17(19)25-8-3/h9-10,12,14H,6-8,11H2,1-5H3,(H2,20,21,22)