sodium (3S)-3-(cyclohexylmethyl)-1-oxidanyl-4-oxidanylidene-4-phenylmethoxy-butane-1-sulfonate

Systemtic Name: sodium (3S)-3-(cyclohexylmethyl)-1-oxidanyl-4-oxidanylidene-4-phenylmethoxy-butane-1-sulfonate Openeye Name: sodium (3S)-4-benzyloxy-3-(cyclohexylmethyl)-1-hydroxy-4-oxo-butane-1-sulfonate CAS Name: sodium (3S)-3-(cyclohexylmethyl)-1-hydroxy-4-oxo-4-phenylmethoxy-1-butanesulfonate IUPAC Name: sodium (3S)-3-(cyclohexylmethyl)-1-hydroxy-4-oxo-4-phenylmethoxybutane-1-sulfonate Traditional Name: sodium (3S)-4-benzoxy-3-(cyclohexylmethyl)-1-hydroxy-4-keto-butane-1-sulfonate Formula: C18H25NaO6S MolecularWeight: 392.44227

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(O)S(=O)(=O)[O-])C(=O)OCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1CCC(CC1)C[C@@H](CC(O)S(=O)(=O)[O-])C(=O)OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H26O6S.Na/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);/q;+1/p-1/t16-,17?;/m0./s1