3,7-dimethylisochromenylium-6,8-diol; 4-methylbenzenesulfonate

Systemtic Name: 3,7-dimethylisochromenylium-6,8-diol; 4-methylbenzenesulfonate Openeye Name: 3,7-dimethylisochromenylium-6,8-diol; 4-methylbenzenesulfonate CAS Name: 3,7-dimethyl-2-benzopyrylium-6,8-diol; 4-methylbenzenesulfonate IUPAC Name: 3,7-dimethylisochromenylium-6,8-diol; 4-methylbenzenesulfonate Traditional Name: 3,7-dimethyl-2-benzopyrylium-6,8-diol tosylate Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=CC(=C(C(=C2C=[O+]1)O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=CC(=C(C(=C2C=[O+]1)O)C)O

InChI

InChI=1S/C11H10O3.C7H8O3S/c1-6-3-8-4-10(12)7(2)11(13)9(8)5-14-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3,(H-,12,13);2-5H,1H3,(H,8,9,10)