3-[[3-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-2,3-dihydroinden-5-yl]oxy]propane-1-sulfonic acid

Systemtic Name: 3-[[3-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-2,3-dihydroinden-5-yl]oxy]propane-1-sulfonic acid Openeye Name: 3-(3-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-indan-5-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(3-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydroinden-5-yl)oxy]-1-propanesulfonic acid IUPAC Name: 3-[(3-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydroinden-5-yl)oxy]propane-1-sulfonic acid Traditional Name: 3-(3-butyl-6,7-dichloro-2-cyclopentyl-1-keto-indan-5-yl)oxypropane-1-sulfonic acid Formula: C21H28Cl2O5S MolecularWeight: 463.41502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(=O)C2=C(C(=C(C=C12)OCCCS(=O)(=O)O)Cl)Cl)C3CCCC3

Isomeric SMILES

CCCCC1C(C(=O)C2=C(C(=C(C=C12)OCCCS(=O)(=O)O)Cl)Cl)C3CCCC3

InChI

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