sodium 4-(2,5-dimethylphenyl)butane-1-sulfonic acid

Systemtic Name: sodium 4-(2,5-dimethylphenyl)butane-1-sulfonic acid Openeye Name: sodium 4-(2,5-dimethylphenyl)butane-1-sulfonic acid CAS Name: sodium 4-(2,5-dimethylphenyl)-1-butanesulfonic acid IUPAC Name: sodium 4-(2,5-dimethylphenyl)butane-1-sulfonic acid Traditional Name: sodium 4-(2,5-dimethylphenyl)butane-1-sulfonic acid Formula: C12H18NaO3S+ MolecularWeight: 265.32429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CCCCS(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CCCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H18O3S.Na/c1-10-6-7-11(2)12(9-10)5-3-4-8-16(13,14)15;/h6-7,9H,3-5,8H2,1-2H3,(H,13,14,15);/q;+1