sodium; hydrogen sulfite; 1-methyl-4-tridecyl-benzene

Systemtic Name: sodium; hydrogen sulfite; 1-methyl-4-tridecyl-benzene Openeye Name: sodium; hydrogen sulfite; 1-methyl-4-tridecyl-benzene CAS Name: sodium; hydrogen sulfite; 1-methyl-4-tridecylbenzene IUPAC Name: sodium; hydrogen sulfite; 1-methyl-4-tridecylbenzene Traditional Name: sodium 1-methyl-4-tridecyl-benzene bisulfite Formula: C20H35NaO3S MolecularWeight: 378.54487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=C(C=C1)C.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=C(C=C1)C.OS(=O)[O-].[Na+]

InChI

InChI=1S/C20H34.Na.H2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-17-15-19(2)16-18-20;;1-4(2)3/h15-18H,3-14H2,1-2H3;;(H2,1,2,3)/q;+1;/p-1