4-azanylbenzenesulfonic acid; N,6-dimethylheptan-2-amine

Systemtic Name: 4-azanylbenzenesulfonic acid; N,6-dimethylheptan-2-amine Openeye Name: 4-aminobenzenesulfonic acid; N,6-dimethylheptan-2-amine CAS Name: 4-aminobenzenesulfonic acid; N,6-dimethyl-2-heptanamine IUPAC Name: 4-aminobenzenesulfonic acid; N,6-dimethylheptan-2-amine Traditional Name: 4-aminobesylic acid; 1,5-dimethylhexyl(methyl)amine Formula: C15H28N2O3S MolecularWeight: 316.45942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

CC(C)CCCC(C)NC.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C9H21N.C6H7NO3S/c1-8(2)6-5-7-9(3)10-4;7-5-1-3-6(4-2-5)11(8,9)10/h8-10H,5-7H2,1-4H3;1-4H,7H2,(H,8,9,10)