2-dodecylbenzenesulfonic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-dodecylbenzenesulfonic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-dodecylbenzenesulfonic acid; 4-methylbenzenesulfonic acid CAS Name: 2-dodecylbenzenesulfonic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-dodecylbenzenesulfonic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-laurylbesylic acid; tosylic acid Formula: C25H38O6S2 MolecularWeight: 498.69562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H30O3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-6-2-4-7(5-3-6)11(8,9)10/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2-5H,1H3,(H,8,9,10)