Chemical Component Summary |
---|
Name | (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid |
---|
Identifiers | (1R,2R,4S,5R)-2-(1-benzothiophen-5-ylmethyl)-1,4,5-tris(oxidanyl)-3-oxidanylidene-cyclohexane-1-carboxylic acid |
---|
Formula | C16 H16 O6 S |
---|
Molecular Weight | 336.36 |
---|
Type | NON-POLYMER |
---|
Isomeric SMILES | c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O |
---|
InChI | InChI=1S/C16H16O6S/c17-11-7-16(22,15(20)21)10(13(18)14(11)19)6-8-1-2-12-9(5-8)3-4-23-12/h1-5,10-11,14,17,19,22H,6-7H2,(H,20,21)/t10-,11+,14-,16+/m0/s1 |
---|
InChIKey | WFQJMZIPFQUOBR-FJXFWJLJSA-N |
---|