[(E)-3-methyl-9-phenylmethoxy-non-2-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-3-methyl-9-phenylmethoxy-non-2-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-9-benzyloxy-3-methyl-non-2-enyl] phosphono hydrogen phosphate CAS Name: [(E)-3-methyl-9-phenylmethoxynon-2-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-3-methyl-9-phenylmethoxynon-2-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-9-benzoxy-3-methyl-non-2-enyl] phosphono hydrogen phosphate Formula: C17H28O8P2 MolecularWeight: 422.346942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)(O)OP(=O)(O)O)CCCCCCOCC1=CC=CC=C1

Isomeric SMILES

C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCCCCCOCC1=CC=CC=C1

InChI

InChI=1S/C17H28O8P2/c1-16(12-14-24-27(21,22)25-26(18,19)20)9-5-2-3-8-13-23-15-17-10-6-4-7-11-17/h4,6-7,10-12H,2-3,5,8-9,13-15H2,1H3,(H,21,22)(H2,18,19,20)/b16-12+