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

Systemtic Name: 6,6,12-trimethyl-4-oxidanylidene-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid Openeye Name: 6,6,12-trimethyl-4-oxo-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid CAS Name: 6,6,12-trimethyl-4-oxo-8-sulfo-2-[2]benzopyrano[3,4-f][1]benzopyrancarboxylic acid IUPAC Name: 6,6,12-trimethyl-4-oxo-8-sulfoisochromeno[3,4-f]chromene-2-carboxylic acid Traditional Name: 4-keto-6,6,12-trimethyl-8-sulfo-isochromeno[3,4-f]chromene-2-carboxylic acid Formula: C20H16O8S MolecularWeight: 416.40124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C(=C1)C4=C(C=C(C=C4)S(=O)(=O)O)C(O3)(C)C)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

CC1=C2C(=C3C(=C1)C4=C(C=C(C=C4)S(=O)(=O)O)C(O3)(C)C)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C20H16O8S/c1-9-6-12-11-5-4-10(29(24,25)26)7-13(11)20(2,3)28-18(12)16-14(21)8-15(19(22)23)27-17(9)16/h4-8H,1-3H3,(H,22,23)(H,24,25,26)