butan-1-amine; 3-methyl-4-methylsulfinyl-benzoic acid

Systemtic Name: butan-1-amine; 3-methyl-4-methylsulfinyl-benzoic acid Openeye Name: butan-1-amine; 3-methyl-4-methylsulfinyl-benzoic acid CAS Name: 1-butanamine; 3-methyl-4-methylsulfinylbenzoic acid IUPAC Name: butan-1-amine; 3-methyl-4-methylsulfinylbenzoic acid Traditional Name: butylamine; 3-methyl-4-methylsulfinyl-benzoic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3S.C4H11N/c1-6-5-7(9(10)11)3-4-8(6)13(2)12;1-2-3-4-5/h3-5H,1-2H3,(H,10,11);2-5H2,1H3