5-[3,4-bis(oxidanyl)phenyl]carbonyl-3H-1,3-benzothiazol-2-one

Systemtic Name: 5-[3,4-bis(oxidanyl)phenyl]carbonyl-3H-1,3-benzothiazol-2-one Openeye Name: 5-(3,4-dihydroxybenzoyl)-3H-1,3-benzothiazol-2-one CAS Name: 5-[(3,4-dihydroxyphenyl)-oxomethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 5-(3,4-dihydroxybenzoyl)-3H-1,3-benzothiazol-2-one Traditional Name: 5-protocatechuoyl-3H-1,3-benzothiazol-2-one Formula: C14H9NO4S MolecularWeight: 287.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC3=C(C=C2)SC(=O)N3)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC3=C(C=C2)SC(=O)N3)O)O

InChI

InChI=1S/C14H9NO4S/c16-10-3-1-8(6-11(10)17)13(18)7-2-4-12-9(5-7)15-14(19)20-12/h1-6,16-17H,(H,15,19)