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

Systemtic Name: [[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-oxidanyl-phosphono-methyl]phosphonic acid Openeye Name: [[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-hydroxy-phosphono-methyl]phosphonic acid CAS Name: [[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid IUPAC Name: [[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid Traditional Name: [[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-hydroxy-phosphono-methyl]phosphonic acid Formula: C12H19Cl2NO7P2 MolecularWeight: 422.135282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19Cl2NO7P2/c1-9-2-3-10(8-11(9)15(6-4-13)7-5-14)12(16,23(17,18)19)24(20,21)22/h2-3,8,16H,4-7H2,1H3,(H2,17,18,19)(H2,20,21,22)