[4-[13-[(4-diethoxyphosphorylphenyl)-methanoyl-amino]tridecyl-methanoyl-amino]phenyl]phosphonic acid

Systemtic Name: [4-[13-[(4-diethoxyphosphorylphenyl)-methanoyl-amino]tridecyl-methanoyl-amino]phenyl]phosphonic acid Openeye Name: [4-[13-(4-diethoxyphosphoryl-N-formyl-anilino)tridecyl-formyl-amino]phenyl]phosphonic acid CAS Name: [4-[13-(4-diethoxyphosphoryl-N-formylanilino)tridecyl-formylamino]phenyl]phosphonic acid IUPAC Name: [4-[13-(4-diethoxyphosphoryl-N-formylanilino)tridecyl-formylamino]phenyl]phosphonic acid Traditional Name: [4-[13-(4-diethoxyphosphoryl-N-formyl-anilino)tridecyl-formyl-amino]phenyl]phosphonic acid Formula: C31H48N2O8P2 MolecularWeight: 638.668942

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(C=C1)N(CCCCCCCCCCCCCN(C=O)C2=CC=C(C=C2)P(=O)(O)O)C=O)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)N(CCCCCCCCCCCCCN(C=O)C2=CC=C(C=C2)P(=O)(O)O)C=O)OCC

InChI

InChI=1S/C31H48N2O8P2/c1-3-40-43(39,41-4-2)31-22-18-29(19-23-31)33(27-35)25-15-13-11-9-7-5-6-8-10-12-14-24-32(26-34)28-16-20-30(21-17-28)42(36,37)38/h16-23,26-27H,3-15,24-25H2,1-2H3,(H2,36,37,38)