5,6-dihydrobenzo[b][1]benzothiepine-3,9-dicarboxylic acid

Systemtic Name: 5,6-dihydrobenzo[b][1]benzothiepine-3,9-dicarboxylic acid Openeye Name: 5,6-dihydrobenzo[b][1]benzothiepine-3,9-dicarboxylic acid CAS Name: 5,6-dihydrobenzo[b][1]benzothiepin-3,9-dicarboxylic acid IUPAC Name: 5,6-dihydrobenzo[b][1]benzothiepine-3,9-dicarboxylic acid Traditional Name: 5,6-dihydrobenzo[b][1]benzothiepin-3,9-dicarboxylic acid Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)SC3=C1C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)SC3=C1C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12O4S/c17-15(18)11-5-6-13-10(7-11)3-1-9-2-4-12(16(19)20)8-14(9)21-13/h2,4-8H,1,3H2,(H,17,18)(H,19,20)