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

Systemtic Name: 5-chloranylsulfonyl-7-ethyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-chlorosulfonyl-7-ethyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-chlorosulfonyl-7-ethyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-chlorosulfonyl-7-ethyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-chlorosulfonyl-7-ethyl-9-keto-xanthene-2-carboxylic acid Formula: C16H11ClO6S MolecularWeight: 366.77294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C16H11ClO6S/c1-2-8-5-11-14(18)10-7-9(16(19)20)3-4-12(10)23-15(11)13(6-8)24(17,21)22/h3-7H,2H2,1H3,(H,19,20)