1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)urea

Systemtic Name: 1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)urea Openeye Name: 1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)urea CAS Name: 1-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-(1-diphenoxyphosphorylpentyl)urea IUPAC Name: 1-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-(1-diphenoxyphosphorylpentyl)urea Traditional Name: 1-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]-3-(1-diphenoxyphosphorylpentyl)urea Formula: C28H35Cl2N3O6P2 MolecularWeight: 642.447522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(NC(=O)NP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(NC(=O)NP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C28H35Cl2N3O6P2/c1-2-3-19-27(40(35,37-24-13-7-4-8-14-24)38-25-15-9-5-10-16-25)31-28(34)32-41(36,33(22-20-29)23-21-30)39-26-17-11-6-12-18-26/h4-18,27H,2-3,19-23H2,1H3,(H2,31,32,34,36)