1-methyl-9-oxidanylidene-6-sulfo-xanthene-2-carboxylic acid

Systemtic Name: 1-methyl-9-oxidanylidene-6-sulfo-xanthene-2-carboxylic acid Openeye Name: 1-methyl-9-oxo-6-sulfo-xanthene-2-carboxylic acid CAS Name: 1-methyl-9-oxo-6-sulfo-2-xanthenecarboxylic acid IUPAC Name: 1-methyl-9-oxo-6-sulfoxanthene-2-carboxylic acid Traditional Name: 9-keto-1-methyl-6-sulfo-xanthene-2-carboxylic acid Formula: C15H10O7S MolecularWeight: 334.3007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C15H10O7S/c1-7-9(15(17)18)4-5-11-13(7)14(16)10-3-2-8(23(19,20)21)6-12(10)22-11/h2-6H,1H3,(H,17,18)(H,19,20,21)