[3-(4-heptylphenyl)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [3-(4-heptylphenyl)-1-phosphono-butyl]phosphonic acid Openeye Name: [3-(4-heptylphenyl)-1-phosphono-butyl]phosphonic acid CAS Name: [3-(4-heptylphenyl)-1-phosphonobutyl]phosphonic acid IUPAC Name: [3-(4-heptylphenyl)-1-phosphonobutyl]phosphonic acid Traditional Name: [3-(4-heptylphenyl)-1-phosphono-butyl]phosphonic acid Formula: C17H30O6P2 MolecularWeight: 392.364022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(C)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(C)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H30O6P2/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)14(2)13-17(24(18,19)20)25(21,22)23/h9-12,14,17H,3-8,13H2,1-2H3,(H2,18,19,20)(H2,21,22,23)