(3S)-3-(cyclohexylmethyl)-1-oxidanyl-4-oxidanylidene-4-phenylmethoxy-butane-1-sulfonic acid

Systemtic Name: (3S)-3-(cyclohexylmethyl)-1-oxidanyl-4-oxidanylidene-4-phenylmethoxy-butane-1-sulfonic acid Openeye Name: (3S)-4-benzyloxy-3-(cyclohexylmethyl)-1-hydroxy-4-oxo-butane-1-sulfonic acid CAS Name: (3S)-3-(cyclohexylmethyl)-1-hydroxy-4-oxo-4-phenylmethoxy-1-butanesulfonic acid IUPAC Name: (3S)-3-(cyclohexylmethyl)-1-hydroxy-4-oxo-4-phenylmethoxybutane-1-sulfonic acid Traditional Name: (3S)-4-benzoxy-3-(cyclohexylmethyl)-1-hydroxy-4-keto-butane-1-sulfonic acid Formula: C18H26O6S MolecularWeight: 370.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(O)S(=O)(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C[C@@H](CC(O)S(=O)(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H26O6S/c19-17(25(21,22)23)12-16(11-14-7-3-1-4-8-14)18(20)24-13-15-9-5-2-6-10-15/h2,5-6,9-10,14,16-17,19H,1,3-4,7-8,11-13H2,(H,21,22,23)/t16-,17?/m0/s1