4-[4,5-bis(azanyl)-2-methyl-phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4,5-bis(azanyl)-2-methyl-phenoxy]butane-1-sulfonic acid Openeye Name: 4-(4,5-diamino-2-methyl-phenoxy)butane-1-sulfonic acid CAS Name: 4-(4,5-diamino-2-methylphenoxy)-1-butanesulfonic acid IUPAC Name: 4-(4,5-diamino-2-methylphenoxy)butane-1-sulfonic acid Traditional Name: 4-(4,5-diamino-2-methyl-phenoxy)butane-1-sulfonic acid Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCCS(=O)(=O)O)N)N

Isomeric SMILES

CC1=CC(=C(C=C1OCCCCS(=O)(=O)O)N)N

InChI

InChI=1S/C11H18N2O4S/c1-8-6-9(12)10(13)7-11(8)17-4-2-3-5-18(14,15)16/h6-7H,2-5,12-13H2,1H3,(H,14,15,16)