4-azanylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine

Systemtic Name: 4-azanylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine Openeye Name: 4-aminobenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine CAS Name: 4-aminobenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine IUPAC Name: 4-aminobenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine Traditional Name: 4-aminobesylic acid; 2-(3-methylphenoxy)ethylamine Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCN.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C9H13NO.C6H7NO3S/c1-8-3-2-4-9(7-8)11-6-5-10;7-5-1-3-6(4-2-5)11(8,9)10/h2-4,7H,5-6,10H2,1H3;1-4H,7H2,(H,8,9,10)