4-azanyl-2-methoxy-benzenesulfonic acid; (sulfinoamino)ethane

Systemtic Name: 4-azanyl-2-methoxy-benzenesulfonic acid; (sulfinoamino)ethane Openeye Name: 4-amino-2-methoxy-benzenesulfonic acid; (sulfinoamino)ethane CAS Name: 4-amino-2-methoxybenzenesulfonic acid; (sulfinoamino)ethane IUPAC Name: 4-amino-2-methoxybenzenesulfonic acid; (sulfinoamino)ethane Traditional Name: 4-amino-2-methoxy-besylic acid; (sulfinoamino)ethane Formula: C9H16N2O6S2 MolecularWeight: 312.36314

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.COC1=C(C=CC(=C1)N)S(=O)(=O)O

Isomeric SMILES

CCNS(=O)O.COC1=C(C=CC(=C1)N)S(=O)(=O)O

InChI

InChI=1S/C7H9NO4S.C2H7NO2S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11;1-2-3-6(4)5/h2-4H,8H2,1H3,(H,9,10,11);3H,2H2,1H3,(H,4,5)