2,4-bis(azanyl)-5-methoxy-benzenesulfonic acid; 2,4-bis(azanyl)-5-methyl-benzenesulfonic acid

Systemtic Name: 2,4-bis(azanyl)-5-methoxy-benzenesulfonic acid; 2,4-bis(azanyl)-5-methyl-benzenesulfonic acid Openeye Name: 2,4-diamino-5-methoxy-benzenesulfonic acid; 2,4-diamino-5-methyl-benzenesulfonic acid CAS Name: 2,4-diamino-5-methoxybenzenesulfonic acid; 2,4-diamino-5-methylbenzenesulfonic acid IUPAC Name: 2,4-diamino-5-methoxybenzenesulfonic acid; 2,4-diamino-5-methylbenzenesulfonic acid Traditional Name: 2,4-diamino-5-methoxy-besylic acid; 2,4-diamino-5-methyl-besylic acid Formula: C14H20N4O7S2 MolecularWeight: 420.4612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N)S(=O)(=O)O.COC1=CC(=C(C=C1N)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N)N)S(=O)(=O)O.COC1=CC(=C(C=C1N)N)S(=O)(=O)O

InChI

InChI=1S/C7H10N2O4S.C7H10N2O3S/c1-13-6-3-7(14(10,11)12)5(9)2-4(6)8;1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,8-9H2,1H3,(H,10,11,12);2-3H,8-9H2,1H3,(H,10,11,12)