1-chloranylbutane-1-sulfonic acid; 4-methylphenol

Systemtic Name: 1-chloranylbutane-1-sulfonic acid; 4-methylphenol Openeye Name: 1-chlorobutane-1-sulfonic acid; p-cresol CAS Name: 1-chloro-1-butanesulfonic acid; 4-methylphenol IUPAC Name: 1-chlorobutane-1-sulfonic acid; 4-methylphenol Traditional Name: 1-chlorobutane-1-sulfonic acid; p-cresol Formula: C11H17ClO4S MolecularWeight: 280.76828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(S(=O)(=O)O)Cl.CC1=CC=C(C=C1)O

Isomeric SMILES

CCCC(S(=O)(=O)O)Cl.CC1=CC=C(C=C1)O

InChI

InChI=1S/C7H8O.C4H9ClO3S/c1-6-2-4-7(8)5-3-6;1-2-3-4(5)9(6,7)8/h2-5,8H,1H3;4H,2-3H2,1H3,(H,6,7,8)