3-methoxybenzoic acid; (sulfinoamino)methylbenzene

Systemtic Name: 3-methoxybenzoic acid; (sulfinoamino)methylbenzene Openeye Name: 3-methoxybenzoic acid; (sulfinoamino)methylbenzene CAS Name: 3-methoxybenzoic acid; (sulfinoamino)methylbenzene IUPAC Name: 3-methoxybenzoic acid; (sulfinoamino)methylbenzene Traditional Name: m-anisic acid; (sulfinoamino)methylbenzene Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)O.C1=CC=C(C=C1)CNS(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)O.C1=CC=C(C=C1)CNS(=O)O

InChI

InChI=1S/C8H8O3.C7H9NO2S/c1-11-7-4-2-3-6(5-7)8(9)10;9-11(10)8-6-7-4-2-1-3-5-7/h2-5H,1H3,(H,9,10);1-5,8H,6H2,(H,9,10)