5-(2,4-dimethylphenyl)pentane-1-sulfonic acid

Systemtic Name: 5-(2,4-dimethylphenyl)pentane-1-sulfonic acid Openeye Name: 5-(2,4-dimethylphenyl)pentane-1-sulfonic acid CAS Name: 5-(2,4-dimethylphenyl)-1-pentanesulfonic acid IUPAC Name: 5-(2,4-dimethylphenyl)pentane-1-sulfonic acid Traditional Name: 5-(2,4-dimethylphenyl)pentane-1-sulfonic acid Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCS(=O)(=O)O)C

InChI

InChI=1S/C13H20O3S/c1-11-7-8-13(12(2)10-11)6-4-3-5-9-17(14,15)16/h7-8,10H,3-6,9H2,1-2H3,(H,14,15,16)