1-dodecyl-2,3-dimethyl-benzene; propane-1-sulfonic acid; hydrate

Systemtic Name: 1-dodecyl-2,3-dimethyl-benzene; propane-1-sulfonic acid; hydrate Openeye Name: 1-dodecyl-2,3-dimethyl-benzene; propane-1-sulfonic acid; hydrate CAS Name: 1-dodecyl-2,3-dimethylbenzene; 1-propanesulfonic acid; hydrate IUPAC Name: 1-dodecyl-2,3-dimethylbenzene; propane-1-sulfonic acid; hydrate Traditional Name: 1-lauryl-2,3-dimethyl-benzene; propane-1-sulfonic acid; hydrate Formula: C23H44O4S MolecularWeight: 416.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC(=C1C)C.CCCS(=O)(=O)O.O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC(=C1C)C.CCCS(=O)(=O)O.O

InChI

InChI=1S/C20H34.C3H8O3S.H2O/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18(2)19(20)3;1-2-3-7(4,5)6;/h14-15,17H,4-13,16H2,1-3H3;2-3H2,1H3,(H,4,5,6);1H2