disodium 3-[butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate

Systemtic Name: disodium 3-[butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Openeye Name: disodium 3-[butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate CAS Name: disodium 3-[butyl-(3-sulfonatophenyl)phosphino]benzenesulfonate IUPAC Name: disodium 3-[butyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate Traditional Name: disodium 3-[butyl-(3-sulfonatophenyl)phosphino]besylate Formula: C16H17Na2O6PS2 MolecularWeight: 446.385881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCP(C1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCP(C1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H19O6PS2.2Na/c1-2-3-10-23(13-6-4-8-15(11-13)24(17,18)19)14-7-5-9-16(12-14)25(20,21)22;;/h4-9,11-12H,2-3,10H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2