[4-(1-chloranyl-2-prop-2-enoxy-ethyl)-1,7,7-triphosphono-heptyl]phosphonic acid

Systemtic Name: [4-(1-chloranyl-2-prop-2-enoxy-ethyl)-1,7,7-triphosphono-heptyl]phosphonic acid Openeye Name: [4-(2-allyloxy-1-chloro-ethyl)-1,7,7-triphosphono-heptyl]phosphonic acid CAS Name: [4-(1-chloro-2-prop-2-enoxyethyl)-1,7,7-triphosphonoheptyl]phosphonic acid IUPAC Name: [4-(1-chloro-2-prop-2-enoxyethyl)-1,7,7-triphosphonoheptyl]phosphonic acid Traditional Name: [4-(2-allyloxy-1-chloro-ethyl)-1,7,7-triphosphono-heptyl]phosphonic acid Formula: C12H27ClO13P4 MolecularWeight: 538.683024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(C(CCC(P(=O)(O)O)P(=O)(O)O)CCC(P(=O)(O)O)P(=O)(O)O)Cl

Isomeric SMILES

C=CCOCC(C(CCC(P(=O)(O)O)P(=O)(O)O)CCC(P(=O)(O)O)P(=O)(O)O)Cl

InChI

InChI=1S/C12H27ClO13P4/c1-2-7-26-8-10(13)9(3-5-11(27(14,15)16)28(17,18)19)4-6-12(29(20,21)22)30(23,24)25/h2,9-12H,1,3-8H2,(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)