5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium

Systemtic Name: 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium Openeye Name: 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium CAS Name: 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium IUPAC Name: 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium Traditional Name: 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium Formula: C20H20ClNNa2O7 MolecularWeight: 467.80784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O.[Na].[Na]

Isomeric SMILES

C[C@H](CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O.[Na].[Na]

InChI

InChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/t11-,15+;;/m1../s1