[2,3-di(octan-3-yl)phenyl]phosphonic acid

Systemtic Name: [2,3-di(octan-3-yl)phenyl]phosphonic acid Openeye Name: [2,3-bis(1-ethylhexyl)phenyl]phosphonic acid CAS Name: [2,3-di(octan-3-yl)phenyl]phosphonic acid IUPAC Name: [2,3-di(octan-3-yl)phenyl]phosphonic acid Traditional Name: [2,3-bis(1-ethylhexyl)phenyl]phosphonic acid Formula: C22H39O3P MolecularWeight: 382.517021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=CC=C1)P(=O)(O)O)C(CC)CCCCC

Isomeric SMILES

CCCCCC(CC)C1=C(C(=CC=C1)P(=O)(O)O)C(CC)CCCCC

InChI

InChI=1S/C22H39O3P/c1-5-9-11-14-18(7-3)20-16-13-17-21(26(23,24)25)22(20)19(8-4)15-12-10-6-2/h13,16-19H,5-12,14-15H2,1-4H3,(H2,23,24,25)