[2,3-di(octan-4-yl)phenyl] dihydrogen phosphate

Systemtic Name: [2,3-di(octan-4-yl)phenyl] dihydrogen phosphate Openeye Name: [2,3-bis(1-propylpentyl)phenyl] dihydrogen phosphate CAS Name: [2,3-di(octan-4-yl)phenyl] dihydrogen phosphate IUPAC Name: [2,3-di(octan-4-yl)phenyl] dihydrogen phosphate Traditional Name: [2,3-bis(1-propylpentyl)phenyl] dihydrogen phosphate Formula: C22H39O4P MolecularWeight: 398.516421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C(=CC=C1)OP(=O)(O)O)C(CCC)CCCC

Isomeric SMILES

CCCCC(CCC)C1=C(C(=CC=C1)OP(=O)(O)O)C(CCC)CCCC

InChI

InChI=1S/C22H39O4P/c1-5-9-14-18(12-7-3)20-16-11-17-21(26-27(23,24)25)22(20)19(13-8-4)15-10-6-2/h11,16-19H,5-10,12-15H2,1-4H3,(H2,23,24,25)