[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]phosphonic acid

Systemtic Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]phosphonic acid Openeye Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]phosphonic acid CAS Name: [3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid IUPAC Name: [3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid Traditional Name: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]phosphonic acid Formula: C11H16Cl2NO3P MolecularWeight: 312.129401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)P(=O)(O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)P(=O)(O)O)N(CCCl)CCCl

InChI

InChI=1S/C11H16Cl2NO3P/c1-9-2-3-10(18(15,16)17)8-11(9)14(6-4-12)7-5-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17)