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

Systemtic Name: disodium (hexan-2-yloxycarbonylamino) 1-(3-methylsulfanylphenyl)propan-2-yl phosphate Openeye Name: disodium [1-methyl-2-(3-methylsulfanylphenyl)ethyl] (1-methylpentoxycarbonylamino) phosphate CAS Name: disodium [[hexan-2-yloxy(oxo)methyl]amino] 1-[3-(methylthio)phenyl]propan-2-yl phosphate IUPAC Name: disodium (hexan-2-yloxycarbonylamino) 1-(3-methylsulfanylphenyl)propan-2-yl phosphate Traditional Name: disodium [1-methyl-2-[3-(methylthio)phenyl]ethyl] (1-methylpentoxycarbonylamino) phosphate Formula: C34H54N2Na2O12P2S2 MolecularWeight: 854.855822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H28NO6PS.2Na/c2*1-5-6-8-13(2)22-17(19)18-24-25(20,21)23-14(3)11-15-9-7-10-16(12-15)26-4;;/h2*7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,18,19)(H,20,21);;/q;;2*+1/p-2