4-methylaniline; pent-2-ene-3-sulfonic acid

Systemtic Name: 4-methylaniline; pent-2-ene-3-sulfonic acid Openeye Name: 4-methylaniline; pent-2-ene-3-sulfonic acid CAS Name: 4-methylaniline; 2-pentene-3-sulfonic acid IUPAC Name: 4-methylaniline; pent-2-ene-3-sulfonic acid Traditional Name: pent-2-ene-3-sulfonic acid; p-toluidine Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)S(=O)(=O)O.CC1=CC=C(C=C1)N

Isomeric SMILES

CCC(=CC)S(=O)(=O)O.CC1=CC=C(C=C1)N

InChI

InChI=1S/C7H9N.C5H10O3S/c1-6-2-4-7(8)5-3-6;1-3-5(4-2)9(6,7)8/h2-5H,8H2,1H3;3H,4H2,1-2H3,(H,6,7,8)