12-chloranyl-6,6-dimethyl-4-oxidanylidene-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid

Systemtic Name: 12-chloranyl-6,6-dimethyl-4-oxidanylidene-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid Openeye Name: 12-chloro-6,6-dimethyl-4-oxo-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid CAS Name: 12-chloro-6,6-dimethyl-4-oxo-8-sulfo-2-[2]benzopyrano[3,4-f][1]benzopyrancarboxylic acid IUPAC Name: 12-chloro-6,6-dimethyl-4-oxo-8-sulfoisochromeno[3,4-f]chromene-2-carboxylic acid Traditional Name: 12-chloro-4-keto-6,6-dimethyl-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid Formula: C19H13ClO8S MolecularWeight: 436.81972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)C3=CC(=C4C(=C3O1)C(=O)C=C(O4)C(=O)O)Cl)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)C3=CC(=C4C(=C3O1)C(=O)C=C(O4)C(=O)O)Cl)C

InChI

InChI=1S/C19H13ClO8S/c1-19(2)11-5-8(29(24,25)26)3-4-9(11)10-6-12(20)17-15(16(10)28-19)13(21)7-14(27-17)18(22)23/h3-7H,1-2H3,(H,22,23)(H,24,25,26)