2,3,4,5,5a,6-hexahydro-1-benzothiepine-6-carboxylic acid

Systemtic Name: 2,3,4,5,5a,6-hexahydro-1-benzothiepine-6-carboxylic acid Openeye Name: 2,3,4,5,5a,6-hexahydro-1-benzothiepine-6-carboxylic acid CAS Name: 2,3,4,5,5a,6-hexahydro-1-benzothiepin-6-carboxylic acid IUPAC Name: 2,3,4,5,5a,6-hexahydro-1-benzothiepine-6-carboxylic acid Traditional Name: 2,3,4,5,5a,6-hexahydro-1-benzothiepin-6-carboxylic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC2=CC=CC(C2C1)C(=O)O

Isomeric SMILES

C1CCSC2=CC=CC(C2C1)C(=O)O

InChI

InChI=1S/C11H14O2S/c12-11(13)9-5-3-6-10-8(9)4-1-2-7-14-10/h3,5-6,8-9H,1-2,4,7H2,(H,12,13)