2-(11-oxidanylidene-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-2-yl)ethanoic acid

Systemtic Name: 2-(11-oxidanylidene-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-2-yl)ethanoic acid Openeye Name: 2-(11-oxo-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-2-yl)acetic acid CAS Name: 2-(11-oxo-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-2-yl)acetic acid IUPAC Name: 2-(11-oxo-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-2-yl)acetic acid Traditional Name: 2-(11-keto-4a,10a-dihydro-4H-benzo[c][1]benzothiepin-2-yl)acetic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C2C1SC=C3C=CC=CC3C2=O)CC(=O)O

Isomeric SMILES

C1C=C(C=C2C1SC=C3C=CC=CC3C2=O)CC(=O)O

InChI

InChI=1S/C16H14O3S/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-5,7,9,12,14H,6,8H2,(H,17,18)