sodium 2-dodecyl-1H-indole-6-carboxylate hydrate

Systemtic Name: sodium 2-dodecyl-1H-indole-6-carboxylate hydrate Openeye Name: sodium 2-dodecyl-1H-indole-6-carboxylate hydrate CAS Name: sodium 2-dodecyl-1H-indole-6-carboxylate hydrate IUPAC Name: sodium 2-dodecyl-1H-indole-6-carboxylate hydrate Traditional Name: sodium 2-lauryl-1H-indole-6-carboxylate hydrate Formula: C21H32NNaO3 MolecularWeight: 369.47345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(N1)C=C(C=C2)C(=O)[O-].O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(N1)C=C(C=C2)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C21H31NO2.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-19-15-17-13-14-18(21(23)24)16-20(17)22-19;;/h13-16,22H,2-12H2,1H3,(H,23,24);;1H2/q;+1;/p-1