(1-butoxy-4-phenyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (1-butoxy-4-phenyl-1-phosphono-butyl)phosphonic acid Openeye Name: (1-butoxy-4-phenyl-1-phosphono-butyl)phosphonic acid CAS Name: (1-butoxy-4-phenyl-1-phosphonobutyl)phosphonic acid IUPAC Name: (1-butoxy-4-phenyl-1-phosphonobutyl)phosphonic acid Traditional Name: (1-butoxy-4-phenyl-1-phosphono-butyl)phosphonic acid Formula: C14H24O7P2 MolecularWeight: 366.283682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CCCC1=CC=CC=C1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCOC(CCCC1=CC=CC=C1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H24O7P2/c1-2-3-12-21-14(22(15,16)17,23(18,19)20)11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H2,15,16,17)(H2,18,19,20)