3-azanyl-4-ethoxy-benzenesulfonic acid; 4-azanyl-3-ethoxy-benzenesulfonic acid; 3-azanyl-4-methoxy-benzenesulfonic acid; 4-azanyl-3-methoxy-benzenesulfonic acid

Systemtic Name: 3-azanyl-4-ethoxy-benzenesulfonic acid; 4-azanyl-3-ethoxy-benzenesulfonic acid; 3-azanyl-4-methoxy-benzenesulfonic acid; 4-azanyl-3-methoxy-benzenesulfonic acid Openeye Name: 3-amino-4-ethoxy-benzenesulfonic acid; 4-amino-3-ethoxy-benzenesulfonic acid; 3-amino-4-methoxy-benzenesulfonic acid; 4-amino-3-methoxy-benzenesulfonic acid CAS Name: 3-amino-4-ethoxybenzenesulfonic acid; 4-amino-3-ethoxybenzenesulfonic acid; 3-amino-4-methoxybenzenesulfonic acid; 4-amino-3-methoxybenzenesulfonic acid IUPAC Name: 3-amino-4-ethoxybenzenesulfonic acid; 4-amino-3-ethoxybenzenesulfonic acid; 3-amino-4-methoxybenzenesulfonic acid; 4-amino-3-methoxybenzenesulfonic acid Traditional Name: 3-amino-4-ethoxy-besylic acid; 4-amino-3-ethoxy-besylic acid; 3-amino-4-methoxy-besylic acid; 4-amino-3-methoxy-besylic acid Formula: C30H40N4O16S4 MolecularWeight: 840.9158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)O)N.CCOC1=C(C=CC(=C1)S(=O)(=O)O)N.COC1=C(C=C(C=C1)S(=O)(=O)O)N.COC1=C(C=CC(=C1)S(=O)(=O)O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)O)N.CCOC1=C(C=CC(=C1)S(=O)(=O)O)N.COC1=C(C=C(C=C1)S(=O)(=O)O)N.COC1=C(C=CC(=C1)S(=O)(=O)O)N

InChI

InChI=1S/2C8H11NO4S.2C7H9NO4S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12;1-2-13-8-5-6(14(10,11)12)3-4-7(8)9;1-12-7-3-2-5(4-6(7)8)13(9,10)11;1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2*3-5H,2,9H2,1H3,(H,10,11,12);2*2-4H,8H2,1H3,(H,9,10,11)