[4-[4-(2-methylpropyl)phenyl]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[4-(2-methylpropyl)phenyl]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-isobutylphenyl)-1-phosphono-butyl]phosphonic acid CAS Name: [4-[4-(2-methylpropyl)phenyl]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[4-(2-methylpropyl)phenyl]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4-isobutylphenyl)-1-phosphono-butyl]phosphonic acid Formula: C14H24O6P2 MolecularWeight: 350.284282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H24O6P2/c1-11(2)10-13-8-6-12(7-9-13)4-3-5-14(21(15,16)17)22(18,19)20/h6-9,11,14H,3-5,10H2,1-2H3,(H2,15,16,17)(H2,18,19,20)