benzo[b][1]benzothiepine-3,9-dicarboxylic acid

Systemtic Name: benzo[b][1]benzothiepine-3,9-dicarboxylic acid Openeye Name: benzo[b][1]benzothiepine-3,9-dicarboxylic acid CAS Name: benzo[b][1]benzothiepin-3,9-dicarboxylic acid IUPAC Name: benzo[b][1]benzothiepine-3,9-dicarboxylic acid Traditional Name: benzo[b][1]benzothiepin-3,9-dicarboxylic acid Formula: C16H10O4S MolecularWeight: 298.3132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O4S/c17-15(18)11-5-6-13-10(7-11)3-1-9-2-4-12(16(19)20)8-14(9)21-13/h1-8H,(H,17,18)(H,19,20)