methyl 2-[cyclohexa-1,3-dien-1-yloxy(oxidanyl)phosphoryl]oxy-5-dodecoxy-benzoate

Systemtic Name: methyl 2-[cyclohexa-1,3-dien-1-yloxy(oxidanyl)phosphoryl]oxy-5-dodecoxy-benzoate Openeye Name: methyl 2-[cyclohexa-1,3-dien-1-yloxy(hydroxy)phosphoryl]oxy-5-dodecoxy-benzoate CAS Name: 2-[1-cyclohexa-1,3-dienyloxy(hydroxy)phosphoryl]oxy-5-dodecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[cyclohexa-1,3-dien-1-yloxy(hydroxy)phosphoryl]oxy-5-dodecoxybenzoate Traditional Name: 2-[cyclohexa-1,3-dien-1-yloxy(hydroxy)phosphoryl]oxy-5-lauryloxy-benzoic acid methyl ester Formula: C26H39O7P MolecularWeight: 494.557421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CCC2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CCC2)C(=O)OC

InChI

InChI=1S/C26H39O7P/c1-3-4-5-6-7-8-9-10-11-15-20-31-23-18-19-25(24(21-23)26(27)30-2)33-34(28,29)32-22-16-13-12-14-17-22/h12-13,16,18-19,21H,3-11,14-15,17,20H2,1-2H3,(H,28,29)