disodium (hexan-2-yloxycarbonylamino) 1-(3-methoxycarbonylphenyl)propan-2-yl phosphate

Systemtic Name: disodium (hexan-2-yloxycarbonylamino) 1-(3-methoxycarbonylphenyl)propan-2-yl phosphate Openeye Name: disodium [2-(3-methoxycarbonylphenyl)-1-methyl-ethyl] (1-methylpentoxycarbonylamino) phosphate CAS Name: disodium [[hexan-2-yloxy(oxo)methyl]amino] 1-(3-methoxycarbonylphenyl)propan-2-yl phosphate IUPAC Name: disodium (hexan-2-yloxycarbonylamino) 1-(3-methoxycarbonylphenyl)propan-2-yl phosphate Traditional Name: disodium [2-(3-carbomethoxyphenyl)-1-methyl-ethyl] (1-methylpentoxycarbonylamino) phosphate Formula: C36H54N2Na2O16P2 MolecularWeight: 878.744822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)NOP(=O)([O-])OC(C)CC1=CC=CC(=C1)C(=O)OC.CCCCC(C)OC(=O)NOP(=O)([O-])OC(C)CC1=CC=CC(=C1)C(=O)OC.[Na+].[Na+]

Isomeric SMILES

CCCCC(C)OC(=O)NOP(=O)([O-])OC(C)CC1=CC=CC(=C1)C(=O)OC.CCCCC(C)OC(=O)NOP(=O)([O-])OC(C)CC1=CC=CC(=C1)C(=O)OC.[Na+].[Na+]

InChI

InChI=1S/2C18H28NO8P.2Na/c2*1-5-6-8-13(2)25-18(21)19-27-28(22,23)26-14(3)11-15-9-7-10-16(12-15)17(20)24-4;;/h2*7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,19,21)(H,22,23);;/q;;2*+1/p-2