(3E)-3-(5-oxidanylidene-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid

Systemtic Name: (3E)-3-(5-oxidanylidene-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid Openeye Name: (3E)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid CAS Name: (3E)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid IUPAC Name: (3E)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid Traditional Name: (3E)-3-(5-keto-6H-benzo[c][1]benzothiepin-11-ylidene)propionic acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCC(=O)O)C3=CC=CC=C3S1=O

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CC(=O)O)/C3=CC=CC=C3S1=O

InChI

InChI=1S/C17H14O3S/c18-17(19)10-9-14-13-6-2-1-5-12(13)11-21(20)16-8-4-3-7-15(14)16/h1-9H,10-11H2,(H,18,19)/b14-9+