[1-(4-butylphenyl)-4-phosphono-butan-2-yl]phosphonic acid

Systemtic Name: [1-(4-butylphenyl)-4-phosphono-butan-2-yl]phosphonic acid Openeye Name: [1-[(4-butylphenyl)methyl]-3-phosphono-propyl]phosphonic acid CAS Name: [1-(4-butylphenyl)-4-phosphonobutan-2-yl]phosphonic acid IUPAC Name: [1-(4-butylphenyl)-4-phosphonobutan-2-yl]phosphonic acid Traditional Name: [1-(4-butylbenzyl)-3-phosphono-propyl]phosphonic acid Formula: C14H24O6P2 MolecularWeight: 350.284282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(CCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(CCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H24O6P2/c1-2-3-4-12-5-7-13(8-6-12)11-14(22(18,19)20)9-10-21(15,16)17/h5-8,14H,2-4,9-11H2,1H3,(H2,15,16,17)(H2,18,19,20)