4-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]butane-1-sulfonate hydrate

Systemtic Name: 4-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3H-inden-5-yl]oxy]butane-1-sulfonate hydrate Openeye Name: 4-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yl)oxybutane-1-sulfonate hydrate CAS Name: 4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]-1-butanesulfonate hydrate IUPAC Name: 4-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]butane-1-sulfonate hydrate Traditional Name: 4-(6,7-dichloro-2-cyclopentyl-1-keto-2-methyl-indan-5-yl)oxybutane-1-sulfonate hydrate Formula: C19H25Cl2O6S- MolecularWeight: 452.3692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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