bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 5-oxidanyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 5-oxidanyl-1-benzothiophene-2-carboxylic acid Openeye Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 5-hydroxybenzothiophene-2-carboxylic acid CAS Name: 7-bicyclo[4.1.0]hepta-1,3,5-trienone; 5-hydroxy-1-benzothiophene-2-carboxylic acid IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 5-hydroxy-1-benzothiophene-2-carboxylic acid Traditional Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; 5-hydroxybenzothiophene-2-carboxylic acid Formula: C16H10O4S MolecularWeight: 298.3132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C2=O.C1=CC2=C(C=C1O)C=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C2=O.C1=CC2=C(C=C1O)C=C(S2)C(=O)O

InChI

InChI=1S/C9H6O3S.C7H4O/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;8-7-5-3-1-2-4-6(5)7/h1-4,10H,(H,11,12);1-4H