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

Systemtic Name: sodium 3-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]propane-1-sulfonate hydrate Openeye Name: sodium 3-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxypropane-1-sulfonate hydrate CAS Name: sodium 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]-1-propanesulfonate hydrate IUPAC Name: sodium 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]propane-1-sulfonate hydrate Traditional Name: sodium 3-(6,7-dichloro-2-cyclopentyl-1-keto-2-methyl-indan-5-yl)oxypropane-1-sulfonate hydrate Formula: C18H23Cl2NaO6S MolecularWeight: 461.33239

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCS(=O)(=O)[O-])C3CCCC3.O.[Na+]

Isomeric SMILES

CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCS(=O)(=O)[O-])C3CCCC3.O.[Na+]

InChI

InChI=1S/C18H22Cl2O5S.Na.H2O/c1-18(12-5-2-3-6-12)10-11-9-13(25-7-4-8-26(22,23)24)15(19)16(20)14(11)17(18)21;;/h9,12H,2-8,10H2,1H3,(H,22,23,24);;1H2/q;+1;/p-1