3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-chromen-7-yl]oxypropane-1-sulfonic acid

Systemtic Name: 3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-chromen-7-yl]oxypropane-1-sulfonic acid Openeye Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-oxo-chromen-7-yl]oxypropane-1-sulfonic acid CAS Name: 3-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxochromen-7-yl]oxypropane-1-sulfonic acid Traditional Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-keto-chromen-7-yl]oxypropane-1-sulfonic acid Formula: C26H32O7S MolecularWeight: 488.59308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCS(=O)(=O)O

InChI

InChI=1S/C26H32O7S/c1-25(2,3)19-12-16(13-20(24(19)28)26(4,5)6)22-15-21(27)18-9-8-17(14-23(18)33-22)32-10-7-11-34(29,30)31/h8-9,12-15,28H,7,10-11H2,1-6H3,(H,29,30,31)