3-iodanylbenzoic acid; 1-methyl-4-(sulfinoamino)benzene

Systemtic Name: 3-iodanylbenzoic acid; 1-methyl-4-(sulfinoamino)benzene Openeye Name: 3-iodobenzoic acid; 1-methyl-4-(sulfinoamino)benzene CAS Name: 3-iodobenzoic acid; 1-methyl-4-(sulfinoamino)benzene IUPAC Name: 3-iodobenzoic acid; 1-methyl-4-(sulfinoamino)benzene Traditional Name: 3-iodobenzoic acid; 1-methyl-4-(sulfinoamino)benzene Formula: C14H14INO4S MolecularWeight: 419.23473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)I)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)O.C1=CC(=CC(=C1)I)C(=O)O

InChI

InChI=1S/C7H5IO2.C7H9NO2S/c8-6-3-1-2-5(4-6)7(9)10;1-6-2-4-7(5-3-6)8-11(9)10/h1-4H,(H,9,10);2-5,8H,1H3,(H,9,10)