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

Systemtic Name: disodium (hexan-2-yloxycarbonylamino) 1-(3-propan-2-yloxyphenyl)propan-2-yl phosphate Openeye Name: disodium [2-(3-isopropoxyphenyl)-1-methyl-ethyl] (1-methylpentoxycarbonylamino) phosphate CAS Name: disodium [[hexan-2-yloxy(oxo)methyl]amino] 1-(3-propan-2-yloxyphenyl)propan-2-yl phosphate IUPAC Name: disodium (hexan-2-yloxycarbonylamino) 1-(3-propan-2-yloxyphenyl)propan-2-yl phosphate Traditional Name: disodium [2-(3-isopropoxyphenyl)-1-methyl-ethyl] (1-methylpentoxycarbonylamino) phosphate Formula: C38H62N2Na2O14P2 MolecularWeight: 878.830942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H32NO7P.2Na/c2*1-6-7-9-15(4)25-19(21)20-27-28(22,23)26-16(5)12-17-10-8-11-18(13-17)24-14(2)3;;/h2*8,10-11,13-16H,6-7,9,12H2,1-5H3,(H,20,21)(H,22,23);;/q;;2*+1/p-2