3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid

Systemtic Name: 3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid Openeye Name: 3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid CAS Name: 3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid IUPAC Name: 3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid Traditional Name: 3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid Formula: C30H28N2O4P2 MolecularWeight: 542.501842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(CP(CN(CP1C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1N(CP(CN(CP1C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C30H28N2O4P2/c33-29(34)23-9-7-11-25(17-23)31-19-37(27-13-3-1-4-14-27)20-32(26-12-8-10-24(18-26)30(35)36)22-38(21-31)28-15-5-2-6-16-28/h1-18H,19-22H2,(H,33,34)(H,35,36)