[4-(4-phosphonooxy-3-tridecyl-phenoxy)-2-tridecyl-phenyl] phosphate

Systemtic Name: [4-(4-phosphonooxy-3-tridecyl-phenoxy)-2-tridecyl-phenyl] phosphate Openeye Name: [4-(4-phosphonooxy-3-tridecyl-phenoxy)-2-tridecyl-phenyl] phosphate CAS Name: [4-(4-phosphonooxy-3-tridecylphenoxy)-2-tridecylphenyl] phosphate IUPAC Name: [4-(4-phosphonooxy-3-tridecylphenoxy)-2-tridecylphenyl] phosphate Traditional Name: [4-(4-phosphonooxy-3-tridecyl-phenoxy)-2-tridecyl-phenyl] phosphate Formula: C38H62O9P2-2 MolecularWeight: 724.841002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=C(C=CC(=C1)OC2=CC(=C(C=C2)OP(=O)([O-])[O-])CCCCCCCCCCCCC)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCC1=C(C=CC(=C1)OC2=CC(=C(C=C2)OP(=O)([O-])[O-])CCCCCCCCCCCCC)OP(=O)(O)O

InChI

InChI=1S/C38H64O9P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-31-35(27-29-37(33)46-48(39,40)41)45-36-28-30-38(47-49(42,43)44)34(32-36)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-32H,3-26H2,1-2H3,(H2,39,40,41)(H2,42,43,44)/p-2