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

Systemtic Name: sodium 3-[[6,7-bis(chloranyl)-2-cyclopentyl-2-ethyl-1-oxidanylidene-3H-inden-5-yl]oxy]propane-1-sulfonate hydrate Openeye Name: sodium 3-(6,7-dichloro-2-cyclopentyl-2-ethyl-1-oxo-indan-5-yl)oxypropane-1-sulfonate hydrate CAS Name: sodium 3-[(6,7-dichloro-2-cyclopentyl-2-ethyl-1-oxo-3H-inden-5-yl)oxy]-1-propanesulfonate hydrate IUPAC Name: sodium 3-[(6,7-dichloro-2-cyclopentyl-2-ethyl-1-oxo-3H-inden-5-yl)oxy]propane-1-sulfonate hydrate Traditional Name: sodium 3-(6,7-dichloro-2-cyclopentyl-2-ethyl-1-keto-indan-5-yl)oxypropane-1-sulfonate hydrate Formula: C19H25Cl2NaO6S MolecularWeight: 475.35897

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCS(=O)(=O)[O-])C3CCCC3.O.[Na+]

Isomeric SMILES

CCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCS(=O)(=O)[O-])C3CCCC3.O.[Na+]

InChI

InChI=1S/C19H24Cl2O5S.Na.H2O/c1-2-19(13-6-3-4-7-13)11-12-10-14(26-8-5-9-27(23,24)25)16(20)17(21)15(12)18(19)22;;/h10,13H,2-9,11H2,1H3,(H,23,24,25);;1H2/q;+1;/p-1