5-(7-oxidanyl-4-oxidanylidene-chromen-3-yl)-2,4-di(propan-2-yl)benzenesulfonic acid

Systemtic Name: 5-(7-oxidanyl-4-oxidanylidene-chromen-3-yl)-2,4-di(propan-2-yl)benzenesulfonic acid Openeye Name: 5-(7-hydroxy-4-oxo-chromen-3-yl)-2,4-diisopropyl-benzenesulfonic acid CAS Name: 5-(7-hydroxy-4-oxo-1-benzopyran-3-yl)-2,4-di(propan-2-yl)benzenesulfonic acid IUPAC Name: 5-(7-hydroxy-4-oxochromen-3-yl)-2,4-di(propan-2-yl)benzenesulfonic acid Traditional Name: 5-(7-hydroxy-4-keto-chromen-3-yl)-2,4-diisopropyl-besylic acid Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)S(=O)(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)S(=O)(=O)O)C(C)C

InChI

InChI=1S/C21H22O6S/c1-11(2)15-8-16(12(3)4)20(28(24,25)26)9-17(15)18-10-27-19-7-13(22)5-6-14(19)21(18)23/h5-12,22H,1-4H3,(H,24,25,26)