2-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methylazaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[(3,4-dihydroxyphenyl)methylammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[(3,4-dihydroxyphenyl)methylammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylazaniumyl]ethyl-methylsulfonylazanide Traditional Name: mesyl-[2-(protocatechuylammonio)ethyl]azanide Formula: C10H16N2O4S MolecularWeight: 260.31004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N-]CC[NH2+]CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CS(=O)(=O)[N-]CC[NH2+]CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C10H15N2O4S/c1-17(15,16)12-5-4-11-7-8-2-3-9(13)10(14)6-8/h2-3,6,11,13-14H,4-5,7H2,1H3/q-1/p+1