[4-[3-(2-methylprop-1-enyl)phenyl]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[3-(2-methylprop-1-enyl)phenyl]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[3-(2-methylprop-1-enyl)phenyl]-1-phosphono-butyl]phosphonic acid CAS Name: [4-[3-(2-methylprop-1-enyl)phenyl]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[3-(2-methylprop-1-enyl)phenyl]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[3-(2-methylprop-1-enyl)phenyl]-1-phosphono-butyl]phosphonic acid Formula: C14H22O6P2 MolecularWeight: 348.268402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O6P2/c1-11(2)9-13-7-3-5-12(10-13)6-4-8-14(21(15,16)17)22(18,19)20/h3,5,7,9-10,14H,4,6,8H2,1-2H3,(H2,15,16,17)(H2,18,19,20)