1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid

Systemtic Name: 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid Openeye Name: 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid CAS Name: 1-(methylthio)-5H-benzo[d][1,3]benzodioxocin-11-carboxylic acid IUPAC Name: 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid Traditional Name: 1-(methylthio)-5H-benzo[d][1,3]benzodioxocin-11-carboxylic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1OC(OC3=CC=CC=C3C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC2=C1OC(OC3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C16H14O4S/c1-21-13-8-4-6-11-9-10-5-2-3-7-12(10)19-16(15(17)18)20-14(11)13/h2-8,16H,9H2,1H3,(H,17,18)