sodium 3-[[2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3H-inden-5-yl]oxy]propane-1-sulfonate

Systemtic Name: sodium 3-[[2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3H-inden-5-yl]oxy]propane-1-sulfonate Openeye Name: sodium 3-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-indan-5-yl)oxypropane-1-sulfonate CAS Name: sodium 3-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]-1-propanesulfonate IUPAC Name: sodium 3-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]propane-1-sulfonate Traditional Name: sodium 3-(2-butyl-6,7-dichloro-2-cyclopentyl-1-keto-indan-5-yl)oxypropane-1-sulfonate Formula: C21H27Cl2NaO5S MolecularWeight: 485.39685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCS(=O)(=O)[O-])C3CCCC3.[Na+]

Isomeric SMILES

CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCS(=O)(=O)[O-])C3CCCC3.[Na+]

InChI

InChI=1S/C21H28Cl2O5S.Na/c1-2-3-9-21(15-7-4-5-8-15)13-14-12-16(28-10-6-11-29(25,26)27)18(22)19(23)17(14)20(21)24;/h12,15H,2-11,13H2,1H3,(H,25,26,27);/q;+1/p-1