6-(hydroxymethyl)phenoxathiine-4-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)phenoxathiine-4-carboxylic acid Openeye Name: 6-(hydroxymethyl)phenoxathiine-4-carboxylic acid CAS Name: 6-(hydroxymethyl)-4-phenoxathiinecarboxylic acid IUPAC Name: 6-(hydroxymethyl)phenoxathiine-4-carboxylic acid Traditional Name: 6-methylolphenoxathiine-4-carboxylic acid Formula: C14H10O4S MolecularWeight: 274.2918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC3=CC=CC(=C3O2)C(=O)O)CO

Isomeric SMILES

C1=CC(=C2C(=C1)SC3=CC=CC(=C3O2)C(=O)O)CO

InChI

InChI=1S/C14H10O4S/c15-7-8-3-1-5-10-12(8)18-13-9(14(16)17)4-2-6-11(13)19-10/h1-6,15H,7H2,(H,16,17)