1,6-dimethoxy-8-methyl-12-oxidanylidene-10H-benzo[b][5,1]benzoxathiocine-2-carboxylic acid

Systemtic Name: 1,6-dimethoxy-8-methyl-12-oxidanylidene-10H-benzo[b][5,1]benzoxathiocine-2-carboxylic acid Openeye Name: 1,6-dimethoxy-8-methyl-12-oxo-10H-benzo[b][5,1]benzoxathiocine-2-carboxylic acid CAS Name: 1,6-dimethoxy-8-methyl-12-oxo-10H-benzo[b][5,1]benzoxathiocin-2-carboxylic acid IUPAC Name: 1,6-dimethoxy-8-methyl-12-oxo-10H-benzo[b][5,1]benzoxathiocine-2-carboxylic acid Traditional Name: 12-keto-1,6-dimethoxy-8-methyl-10H-benzo[b][5,1]benzoxathiocin-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(S2)C=CC(=C3OC)C(=O)O)OC

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(S2)C=CC(=C3OC)C(=O)O)OC

InChI

InChI=1S/C18H16O6S/c1-9-6-10-8-24-18(21)14-13(25-16(10)12(7-9)22-2)5-4-11(17(19)20)15(14)23-3/h4-7H,8H2,1-3H3,(H,19,20)