[1-(3-decoxyphenyl)-2-phosphono-decan-2-yl]phosphonic acid

Systemtic Name: [1-(3-decoxyphenyl)-2-phosphono-decan-2-yl]phosphonic acid Openeye Name: [1-[(3-decoxyphenyl)methyl]-1-phosphono-nonyl]phosphonic acid CAS Name: [1-(3-decoxyphenyl)-2-phosphonodecan-2-yl]phosphonic acid IUPAC Name: [1-(3-decoxyphenyl)-2-phosphonodecan-2-yl]phosphonic acid Traditional Name: [1-(3-decoxybenzyl)-1-phosphono-nonyl]phosphonic acid Formula: C26H48O7P2 MolecularWeight: 534.602642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1)CC(CCCCCCCC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1)CC(CCCCCCCC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C26H48O7P2/c1-3-5-7-9-11-12-14-16-21-33-25-19-17-18-24(22-25)23-26(34(27,28)29,35(30,31)32)20-15-13-10-8-6-4-2/h17-19,22H,3-16,20-21,23H2,1-2H3,(H2,27,28,29)(H2,30,31,32)