2-[bis(3-oxidanylidenebutanoyl)amino]-5-methoxy-benzenesulfonic acid

Systemtic Name: 2-[bis(3-oxidanylidenebutanoyl)amino]-5-methoxy-benzenesulfonic acid Openeye Name: 2-[bis(3-oxobutanoyl)amino]-5-methoxy-benzenesulfonic acid CAS Name: 2-[bis(1,3-dioxobutyl)amino]-5-methoxybenzenesulfonic acid IUPAC Name: 2-[bis(3-oxobutanoyl)amino]-5-methoxybenzenesulfonic acid Traditional Name: 2-(diacetoacetylamino)-5-methoxy-besylic acid Formula: C15H17NO8S MolecularWeight: 371.36238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N(C1=C(C=C(C=C1)OC)S(=O)(=O)O)C(=O)CC(=O)C

Isomeric SMILES

CC(=O)CC(=O)N(C1=C(C=C(C=C1)OC)S(=O)(=O)O)C(=O)CC(=O)C

InChI

InChI=1S/C15H17NO8S/c1-9(17)6-14(19)16(15(20)7-10(2)18)12-5-4-11(24-3)8-13(12)25(21,22)23/h4-5,8H,6-7H2,1-3H3,(H,21,22,23)