(3R,5R)-3,4,5-tris(oxidanyl)-1-[(2-thianthren-1-ylphenyl)methoxy]cyclohexane-1-carboxylic acid

Systemtic Name: (3R,5R)-3,4,5-tris(oxidanyl)-1-[(2-thianthren-1-ylphenyl)methoxy]cyclohexane-1-carboxylic acid Openeye Name: (3R,5R)-3,4,5-trihydroxy-1-[(2-thianthren-1-ylphenyl)methoxy]cyclohexanecarboxylic acid CAS Name: (3R,5R)-3,4,5-trihydroxy-1-[[2-(1-thianthrenyl)phenyl]methoxy]-1-cyclohexanecarboxylic acid IUPAC Name: (3R,5R)-3,4,5-trihydroxy-1-[(2-thianthren-1-ylphenyl)methoxy]cyclohexane-1-carboxylic acid Traditional Name: (3R,5R)-3,4,5-trihydroxy-1-(2-thianthren-1-ylbenzyl)oxy-cyclohexanecarboxylic acid Formula: C26H24O6S2 MolecularWeight: 496.59516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(C(=O)O)OCC2=CC=CC=C2C3=C4C(=CC=C3)SC5=CC=CC=C5S4)O)O)O

Isomeric SMILES

C1[C@H](C([C@@H](CC1(C(=O)O)OCC2=CC=CC=C2C3=C4C(=CC=C3)SC5=CC=CC=C5S4)O)O)O

InChI

InChI=1S/C26H24O6S2/c27-18-12-26(25(30)31,13-19(28)23(18)29)32-14-15-6-1-2-7-16(15)17-8-5-11-22-24(17)34-21-10-4-3-9-20(21)33-22/h1-11,18-19,23,27-29H,12-14H2,(H,30,31)/t18-,19-,23?,26?/m1/s1