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

Systemtic Name: [(E)-4-[4-(2-methylphenyl)phenyl]-1-phosphono-but-3-enyl]phosphonic acid Openeye Name: [(E)-4-[4-(o-tolyl)phenyl]-1-phosphono-but-3-enyl]phosphonic acid CAS Name: [(E)-4-[4-(2-methylphenyl)phenyl]-1-phosphonobut-3-enyl]phosphonic acid IUPAC Name: [(E)-4-[4-(2-methylphenyl)phenyl]-1-phosphonobut-3-enyl]phosphonic acid Traditional Name: [(E)-4-[4-(o-tolyl)phenyl]-1-phosphono-but-3-enyl]phosphonic acid Formula: C17H20O6P2 MolecularWeight: 382.284622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)C=CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)/C=C/CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H20O6P2/c1-13-5-2-3-7-16(13)15-11-9-14(10-12-15)6-4-8-17(24(18,19)20)25(21,22)23/h2-7,9-12,17H,8H2,1H3,(H2,18,19,20)(H2,21,22,23)/b6-4+