6-[(4-methanethioyloxyphenyl)-oxidanyl-methyl]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-[(4-methanethioyloxyphenyl)-oxidanyl-methyl]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-[hydroxy-(4-methanethioyloxyphenyl)methyl]-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-[hydroxy-(4-methanethioyloxyphenyl)methyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-[hydroxy-(4-methanethioyloxyphenyl)methyl]-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-[hydroxy-(4-thioformyloxyphenyl)methyl]-9-keto-xanthene-2-carboxylic acid Formula: C22H14O6S MolecularWeight: 406.40796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)O)OC=S

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)O)OC=S

InChI

InChI=1S/C22H14O6S/c23-20(12-1-5-15(6-2-12)27-11-29)13-3-7-16-19(10-13)28-18-8-4-14(22(25)26)9-17(18)21(16)24/h1-11,20,23H,(H,25,26)