5-azanyl-2-(4-azanyl-5-methoxy-2-sulfo-phenyl)-4-methoxy-benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(4-azanyl-5-methoxy-2-sulfo-phenyl)-4-methoxy-benzenesulfonic acid Openeye Name: 5-amino-2-(4-amino-5-methoxy-2-sulfo-phenyl)-4-methoxy-benzenesulfonic acid CAS Name: 5-amino-2-(4-amino-5-methoxy-2-sulfophenyl)-4-methoxybenzenesulfonic acid IUPAC Name: 5-amino-2-(4-amino-5-methoxy-2-sulfophenyl)-4-methoxybenzenesulfonic acid Traditional Name: 5-amino-2-(4-amino-5-methoxy-2-sulfo-phenyl)-4-methoxy-besylic acid Formula: C14H16N2O8S2 MolecularWeight: 404.41544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)O)N)OC)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC(=C(C=C2S(=O)(=O)O)N)OC)S(=O)(=O)O)N

InChI

InChI=1S/C14H16N2O8S2/c1-23-11-3-7(13(5-9(11)15)25(17,18)19)8-4-12(24-2)10(16)6-14(8)26(20,21)22/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22)