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

Systemtic Name: 2-butoxycarbonyl-12-chloranyl-4-oxidanylidene-6H-isochromeno[3,4-f]chromene-8-sulfonic acid Openeye Name: 2-butoxycarbonyl-12-chloro-4-oxo-6H-isochromeno[3,4-f]chromene-8-sulfonic acid CAS Name: 2-[butoxy(oxo)methyl]-12-chloro-4-oxo-6H-[2]benzopyrano[3,4-f][1]benzopyran-8-sulfonic acid IUPAC Name: 2-butoxycarbonyl-12-chloro-4-oxo-6H-isochromeno[3,4-f]chromene-8-sulfonic acid Traditional Name: 2-butoxycarbonyl-12-chloro-4-keto-6H-isochromeno[3,4-f]chromene-8-sulfonic acid Formula: C21H17ClO8S MolecularWeight: 464.87288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=O)C2=C3C(=CC(=C2O1)Cl)C4=C(CO3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC(=O)C2=C3C(=CC(=C2O1)Cl)C4=C(CO3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H17ClO8S/c1-2-3-6-28-21(24)17-9-16(23)18-19-14(8-15(22)20(18)30-17)13-5-4-12(31(25,26)27)7-11(13)10-29-19/h4-5,7-9H,2-3,6,10H2,1H3,(H,25,26,27)