lithium O4-dodecyl O1-sulfo 2-dodecylbutanedioate

Systemtic Name: lithium O4-dodecyl O1-sulfo 2-dodecylbutanedioate Openeye Name: lithium O4-dodecyl O1-sulfo 2-dodecylbutanedioate CAS Name: lithium 2-dodecylbutanedioic acid O4-dodecyl ester O1-sulfo ester IUPAC Name: lithium 4-O-dodecyl 1-O-sulfo 2-dodecylbutanedioate Traditional Name: lithium 2-laurylsuccinic acid O4-lauryl ester O1-sulfo ester Formula: C28H54LiO7S+ MolecularWeight: 541.73016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCCCCC(CC(=O)OCCCCCCCCCCCC)C(=O)OS(=O)(=O)O

Isomeric SMILES

[Li+].CCCCCCCCCCCCC(CC(=O)OCCCCCCCCCCCC)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C28H54O7S.Li/c1-3-5-7-9-11-13-15-17-19-21-23-26(28(30)35-36(31,32)33)25-27(29)34-24-22-20-18-16-14-12-10-8-6-4-2;/h26H,3-25H2,1-2H3,(H,31,32,33);/q;+1