2-methylbenzenesulfonic acid; (1R)-1-(5-methylfuran-2-yl)propan-1-amine

Systemtic Name: 2-methylbenzenesulfonic acid; (1R)-1-(5-methylfuran-2-yl)propan-1-amine Openeye Name: 2-methylbenzenesulfonic acid; (1R)-1-(5-methyl-2-furyl)propan-1-amine CAS Name: 2-methylbenzenesulfonic acid; (1R)-1-(5-methyl-2-furanyl)-1-propanamine IUPAC Name: 2-methylbenzenesulfonic acid; (1R)-1-(5-methylfuran-2-yl)propan-1-amine Traditional Name: 2-methylbesylic acid; [(1R)-1-(5-methyl-2-furyl)propyl]amine Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(O1)C)N.CC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CC[C@H](C1=CC=C(O1)C)N.CC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C8H13NO.C7H8O3S/c1-3-7(9)8-5-4-6(2)10-8;1-6-4-2-3-5-7(6)11(8,9)10/h4-5,7H,3,9H2,1-2H3;2-5H,1H3,(H,8,9,10)/t7-;/m1./s1