3-acetamido-4-methoxy-benzenesulfinic acid hydrate

Systemtic Name: 3-acetamido-4-methoxy-benzenesulfinic acid hydrate Openeye Name: 3-acetamido-4-methoxy-benzenesulfinic acid hydrate CAS Name: 3-acetamido-4-methoxybenzenesulfinic acid hydrate IUPAC Name: 3-acetamido-4-methoxybenzenesulfinic acid hydrate Traditional Name: 3-acetamido-4-methoxy-benzenesulfinic acid hydrate Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)O)OC.O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)O)OC.O

InChI

InChI=1S/C9H11NO4S.H2O/c1-6(11)10-8-5-7(15(12)13)3-4-9(8)14-2;/h3-5H,1-2H3,(H,10,11)(H,12,13);1H2