dilithium 3-butyl-4-phenoxy-benzene-1,2-disulfonate

Systemtic Name: dilithium 3-butyl-4-phenoxy-benzene-1,2-disulfonate Openeye Name: dilithium 3-butyl-4-phenoxy-benzene-1,2-disulfonate CAS Name: dilithium 3-butyl-4-phenoxybenzene-1,2-disulfonate IUPAC Name: dilithium 3-butyl-4-phenoxybenzene-1,2-disulfonate Traditional Name: dilithium 3-butyl-4-phenoxy-benzene-1,2-disulfonate Formula: C16H16Li2O7S2 MolecularWeight: 398.30604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

[Li+].[Li+].CCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C16H18O7S2.2Li/c1-2-3-9-13-14(23-12-7-5-4-6-8-12)10-11-15(24(17,18)19)16(13)25(20,21)22;;/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2