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

Systemtic Name: 2-butoxycarbonyl-12-chloranyl-6,6-dimethyl-4-oxidanylidene-isochromeno[3,4-f]chromene-8-sulfonic acid Openeye Name: 2-butoxycarbonyl-12-chloro-6,6-dimethyl-4-oxo-isochromeno[3,4-f]chromene-8-sulfonic acid CAS Name: 2-[butoxy(oxo)methyl]-12-chloro-6,6-dimethyl-4-oxo-8-[2]benzopyrano[3,4-f][1]benzopyransulfonic acid IUPAC Name: 2-butoxycarbonyl-12-chloro-6,6-dimethyl-4-oxoisochromeno[3,4-f]chromene-8-sulfonic acid Traditional Name: 2-butoxycarbonyl-12-chloro-4-keto-6,6-dimethyl-isochromeno[3,4-f]chromene-8-sulfonic acid Formula: C23H21ClO8S MolecularWeight: 492.92604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=O)C2=C3C(=CC(=C2O1)Cl)C4=C(C=C(C=C4)S(=O)(=O)O)C(O3)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=O)C2=C3C(=CC(=C2O1)Cl)C4=C(C=C(C=C4)S(=O)(=O)O)C(O3)(C)C

InChI

InChI=1S/C23H21ClO8S/c1-4-5-8-30-22(26)18-11-17(25)19-20-14(10-16(24)21(19)31-18)13-7-6-12(33(27,28)29)9-15(13)23(2,3)32-20/h6-7,9-11H,4-5,8H2,1-3H3,(H,27,28,29)