7-methyl-9-oxidanylidene-5-sulfo-xanthene-2-carboxylic acid

Systemtic Name: 7-methyl-9-oxidanylidene-5-sulfo-xanthene-2-carboxylic acid Openeye Name: 7-methyl-9-oxo-5-sulfo-xanthene-2-carboxylic acid CAS Name: 7-methyl-9-oxo-5-sulfo-2-xanthenecarboxylic acid IUPAC Name: 7-methyl-9-oxo-5-sulfoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methyl-5-sulfo-xanthene-2-carboxylic acid Formula: C15H10O7S MolecularWeight: 334.3007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)O

InChI

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