6-tert-butyl-4-oxidanylidene-2-phenyl-chromene-8-sulfonic acid

Systemtic Name: 6-tert-butyl-4-oxidanylidene-2-phenyl-chromene-8-sulfonic acid Openeye Name: 6-tert-butyl-4-oxo-2-phenyl-chromene-8-sulfonic acid CAS Name: 6-tert-butyl-4-oxo-2-phenyl-1-benzopyran-8-sulfonic acid IUPAC Name: 6-tert-butyl-4-oxo-2-phenylchromene-8-sulfonic acid Traditional Name: 6-tert-butyl-4-keto-2-phenyl-chromene-8-sulfonic acid Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C19H18O5S/c1-19(2,3)13-9-14-15(20)11-16(12-7-5-4-6-8-12)24-18(14)17(10-13)25(21,22)23/h4-11H,1-3H3,(H,21,22,23)