7-chloranylsulfonyl-9-oxidanylidene-5-propyl-xanthene-2-carboxylic acid

Systemtic Name: 7-chloranylsulfonyl-9-oxidanylidene-5-propyl-xanthene-2-carboxylic acid Openeye Name: 7-chlorosulfonyl-9-oxo-5-propyl-xanthene-2-carboxylic acid CAS Name: 7-chlorosulfonyl-9-oxo-5-propyl-2-xanthenecarboxylic acid IUPAC Name: 7-chlorosulfonyl-9-oxo-5-propylxanthene-2-carboxylic acid Traditional Name: 7-chlorosulfonyl-9-keto-5-propyl-xanthene-2-carboxylic acid Formula: C17H13ClO6S MolecularWeight: 380.79952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)S(=O)(=O)Cl)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C2C(=CC(=C1)S(=O)(=O)Cl)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13ClO6S/c1-2-3-9-6-11(25(18,22)23)8-13-15(19)12-7-10(17(20)21)4-5-14(12)24-16(9)13/h4-8H,2-3H2,1H3,(H,20,21)