1-[3,5-bis(azanyl)-4-methyl-phenyl]-2-oxidanyl-ethanesulfinic acid

Systemtic Name: 1-[3,5-bis(azanyl)-4-methyl-phenyl]-2-oxidanyl-ethanesulfinic acid Openeye Name: 1-(3,5-diamino-4-methyl-phenyl)-2-hydroxy-ethanesulfinic acid CAS Name: 1-(3,5-diamino-4-methylphenyl)-2-hydroxyethanesulfinic acid IUPAC Name: 1-(3,5-diamino-4-methylphenyl)-2-hydroxyethanesulfinic acid Traditional Name: 1-(3,5-diamino-4-methyl-phenyl)-2-hydroxy-ethanesulfinic acid Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)C(CO)S(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1N)C(CO)S(=O)O)N

InChI

InChI=1S/C9H14N2O3S/c1-5-7(10)2-6(3-8(5)11)9(4-12)15(13)14/h2-3,9,12H,4,10-11H2,1H3,(H,13,14)