azane; 4-methoxy-3-(2-methoxy-5-sulfo-phenyl)carbonyl-benzenesulfonic acid

Systemtic Name: azane; 4-methoxy-3-(2-methoxy-5-sulfo-phenyl)carbonyl-benzenesulfonic acid Openeye Name: ammonia; 4-methoxy-3-(2-methoxy-5-sulfo-benzoyl)benzenesulfonic acid CAS Name: ammonia; 4-methoxy-3-[(2-methoxy-5-sulfophenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: azane; 4-methoxy-3-(2-methoxy-5-sulfobenzoyl)benzenesulfonic acid Traditional Name: ammonia; 4-methoxy-3-(2-methoxy-5-sulfo-benzoyl)besylic acid Formula: C15H17NO9S2 MolecularWeight: 419.42678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O9S2.H3N/c1-23-13-5-3-9(25(17,18)19)7-11(13)15(16)12-8-10(26(20,21)22)4-6-14(12)24-2;/h3-8H,1-2H3,(H,17,18,19)(H,20,21,22);1H3