[4-[(E)-2-(3,5-diphosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(E)-2-(3,5-diphosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(E)-2-(3,5-diphosphonooxyphenyl)vinyl]phenyl] dihydrogen phosphate CAS Name: [4-[(E)-2-(3,5-diphosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(E)-2-(3,5-diphosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(E)-2-(3,5-diphosphonooxyphenyl)vinyl]phenyl] dihydrogen phosphate Formula: C14H15O12P3 MolecularWeight: 468.182983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C14H15O12P3/c15-27(16,17)24-12-5-3-10(4-6-12)1-2-11-7-13(25-28(18,19)20)9-14(8-11)26-29(21,22)23/h1-9H,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)/b2-1+