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

Systemtic Name: 3-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]propane-1-sulfonate hydrate Openeye Name: 3-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxypropane-1-sulfonate hydrate CAS Name: 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]-1-propanesulfonate hydrate IUPAC Name: 3-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]propane-1-sulfonate hydrate Traditional Name: 3-(6,7-dichloro-2-cyclopentyl-1-keto-2-methyl-indan-5-yl)oxypropane-1-sulfonate hydrate Formula: C18H23Cl2O6S- MolecularWeight: 438.34262

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2O5S.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/p-1