5,6-bis(oxidanyl)benzo[b][1]benzothiepine-4-carboxylic acid

Systemtic Name: 5,6-bis(oxidanyl)benzo[b][1]benzothiepine-4-carboxylic acid Openeye Name: 5,6-dihydroxybenzo[b][1]benzothiepine-4-carboxylic acid CAS Name: 5,6-dihydroxy-4-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 5,6-dihydroxybenzo[b][1]benzothiepine-4-carboxylic acid Traditional Name: 5,6-dihydroxybenzo[b][1]benzothiepin-4-carboxylic acid Formula: C15H10O4S MolecularWeight: 286.3025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C3=C(C=CC=C3S2)C(=O)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C3=C(C=CC=C3S2)C(=O)O)O)O

InChI

InChI=1S/C15H10O4S/c16-13-8-4-1-2-6-10(8)20-11-7-3-5-9(15(18)19)12(11)14(13)17/h1-7,16-17H,(H,18,19)