[6-azanyl-3-[bis(2-chloroethyl)amino]-2-butanoyl-1-oxidanyl-2-phenyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-azanyl-3-[bis(2-chloroethyl)amino]-2-butanoyl-1-oxidanyl-2-phenyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-amino-3-[bis(2-chloroethyl)amino]-2-butanoyl-1-hydroxy-2-phenyl-1-phosphono-hexyl]phosphonic acid CAS Name: [6-amino-3-[bis(2-chloroethyl)amino]-1-hydroxy-2-(1-oxobutyl)-2-phenyl-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-amino-3-[bis(2-chloroethyl)amino]-2-butanoyl-1-hydroxy-2-phenyl-1-phosphonohexyl]phosphonic acid Traditional Name: [6-amino-3-[bis(2-chloroethyl)amino]-2-butyryl-1-hydroxy-2-phenyl-1-phosphono-hexyl]phosphonic acid Formula: C20H34Cl2N2O8P2 MolecularWeight: 563.346082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC=CC=C1)(C(CCCN)N(CCCl)CCCl)C(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC(=O)C(C1=CC=CC=C1)(C(CCCN)N(CCCl)CCCl)C(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H34Cl2N2O8P2/c1-2-7-18(25)19(16-8-4-3-5-9-16,20(26,33(27,28)29)34(30,31)32)17(10-6-13-23)24(14-11-21)15-12-22/h3-5,8-9,17,26H,2,6-7,10-15,23H2,1H3,(H2,27,28,29)(H2,30,31,32)