5-methanoylbenzo[e][1]benzothiole-2-carboxylic acid

Systemtic Name: 5-methanoylbenzo[e][1]benzothiole-2-carboxylic acid Openeye Name: 5-formylbenzo[e]benzothiophene-2-carboxylic acid CAS Name: 5-formyl-2-benzo[e][1]benzothiolecarboxylic acid IUPAC Name: 5-formylbenzo[e][1]benzothiole-2-carboxylic acid Traditional Name: 5-formylbenzo[e]benzothiophene-2-carboxylic acid Formula: C14H8O3S MolecularWeight: 256.27652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2C=C(S3)C(=O)O)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2C=C(S3)C(=O)O)C=O

InChI

InChI=1S/C14H8O3S/c15-7-8-5-12-11(6-13(18-12)14(16)17)10-4-2-1-3-9(8)10/h1-7H,(H,16,17)