4-methylbenzenesulfonic acid; nonan-3-amine

Systemtic Name: 4-methylbenzenesulfonic acid; nonan-3-amine Openeye Name: 4-methylbenzenesulfonic acid; nonan-3-amine CAS Name: 4-methylbenzenesulfonic acid; 3-nonanamine IUPAC Name: 4-methylbenzenesulfonic acid; nonan-3-amine Traditional Name: 1-ethylheptylamine; tosylic acid Formula: C23H37NO6S2 MolecularWeight: 487.67298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21N.2C7H8O3S/c1-3-5-6-7-8-9(10)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h9H,3-8,10H2,1-2H3;2*2-5H,1H3,(H,8,9,10)