(E)-2,3-bis(1-chloroethyl)-2-formamido-4-methyl-5-phosphono-pent-3-enoic acid

Systemtic Name: (E)-2,3-bis(1-chloroethyl)-2-formamido-4-methyl-5-phosphono-pent-3-enoic acid Openeye Name: (E)-2,3-bis(1-chloroethyl)-2-formamido-4-methyl-5-phosphono-pent-3-enoic acid CAS Name: (E)-2,3-bis(1-chloroethyl)-2-formamido-4-methyl-5-phosphono-3-pentenoic acid IUPAC Name: (E)-2,3-bis(1-chloroethyl)-2-formamido-4-methyl-5-phosphonopent-3-enoic acid Traditional Name: (E)-2,3-bis(1-chloroethyl)-2-formamido-4-methyl-5-phosphono-pent-3-enoic acid Formula: C11H18Cl2NO6P MolecularWeight: 362.143481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C(C)CP(=O)(O)O)C(C(C)Cl)(C(=O)O)NC=O)Cl

Isomeric SMILES

CC(/C(=C(\C)/CP(=O)(O)O)/C(C(C)Cl)(C(=O)O)NC=O)Cl

InChI

InChI=1S/C11H18Cl2NO6P/c1-6(4-21(18,19)20)9(7(2)12)11(8(3)13,10(16)17)14-5-15/h5,7-8H,4H2,1-3H3,(H,14,15)(H,16,17)(H2,18,19,20)/b9-6-