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

Systemtic Name: [(E)-4-[4-(2-methylprop-1-enyl)phenyl]-1-phosphono-but-3-enyl]phosphonic acid Openeye Name: [(E)-4-[4-(2-methylprop-1-enyl)phenyl]-1-phosphono-but-3-enyl]phosphonic acid CAS Name: [(E)-4-[4-(2-methylprop-1-enyl)phenyl]-1-phosphonobut-3-enyl]phosphonic acid IUPAC Name: [(E)-4-[4-(2-methylprop-1-enyl)phenyl]-1-phosphonobut-3-enyl]phosphonic acid Traditional Name: [(E)-4-[4-(2-methylprop-1-enyl)phenyl]-1-phosphono-but-3-enyl]phosphonic acid Formula: C14H20O6P2 MolecularWeight: 346.252522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O6P2/c1-11(2)10-13-8-6-12(7-9-13)4-3-5-14(21(15,16)17)22(18,19)20/h3-4,6-10,14H,5H2,1-2H3,(H2,15,16,17)(H2,18,19,20)/b4-3+