2-dodecyl-2-(2-methylprop-2-enyl)-3-sulfo-butanedioic acid

Systemtic Name: 2-dodecyl-2-(2-methylprop-2-enyl)-3-sulfo-butanedioic acid Openeye Name: 2-dodecyl-2-(2-methylallyl)-3-sulfo-butanedioic acid CAS Name: 2-dodecyl-2-(2-methylprop-2-enyl)-3-sulfobutanedioic acid IUPAC Name: 2-dodecyl-2-(2-methylprop-2-enyl)-3-sulfobutanedioic acid Traditional Name: 2-lauryl-2-(2-methylallyl)-3-sulfo-succinic acid Formula: C20H36O7S MolecularWeight: 420.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=C)C)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CC(=C)C)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H36O7S/c1-4-5-6-7-8-9-10-11-12-13-14-20(19(23)24,15-16(2)3)17(18(21)22)28(25,26)27/h17H,2,4-15H2,1,3H3,(H,21,22)(H,23,24)(H,25,26,27)