disodium 4-[3,3-dimethyl-2-methylidene-5-(4-oxidanidylperoxysulfanylphenyl)indol-1-yl]butyl sulfite

Systemtic Name: disodium 4-[3,3-dimethyl-2-methylidene-5-(4-oxidanidylperoxysulfanylphenyl)indol-1-yl]butyl sulfite Openeye Name: disodium 4-[3,3-dimethyl-2-methylene-5-(4-oxidoperoxysulfanylphenyl)indolin-1-yl]butyl sulfite CAS Name: disodium 4-[3,3-dimethyl-2-methylene-5-[4-(oxidodioxythio)phenyl]-1-indolyl]butyl sulfite IUPAC Name: disodium 4-[3,3-dimethyl-2-methylidene-5-(4-oxidoperoxysulfanylphenyl)indol-1-yl]butyl sulfite Traditional Name: disodium 4-[3,3-dimethyl-2-methylene-5-[4-(oxidoperoxythio)phenyl]indolin-1-yl]butyl sulfite Formula: C21H23NNa2O6S2 MolecularWeight: 495.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C)N(C2=C1C=C(C=C2)C3=CC=C(C=C3)SOO[O-])CCCCOS(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1(C(=C)N(C2=C1C=C(C=C2)C3=CC=C(C=C3)SOO[O-])CCCCOS(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C21H25NO6S2.2Na/c1-15-21(2,3)19-14-17(16-6-9-18(10-7-16)29-28-27-23)8-11-20(19)22(15)12-4-5-13-26-30(24)25;;/h6-11,14,23H,1,4-5,12-13H2,2-3H3,(H,24,25);;/q;2*+1/p-2