chloranylethane; 4-methylbenzenesulfonic acid

Systemtic Name: chloranylethane; 4-methylbenzenesulfonic acid Openeye Name: chloroethane; 4-methylbenzenesulfonic acid CAS Name: chloroethane; 4-methylbenzenesulfonic acid IUPAC Name: chloroethane; 4-methylbenzenesulfonic acid Traditional Name: chloroethane; tosylic acid Formula: C9H13ClO3S MolecularWeight: 236.71572

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Descriptors Computed from Structure

Canonical SMILES:

CCCl.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCl.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C2H5Cl/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3/h2-5H,1H3,(H,8,9,10);2H2,1H3