methyl 3-chloranylbenzoate; (sulfinoamino)methylbenzene

Systemtic Name: methyl 3-chloranylbenzoate; (sulfinoamino)methylbenzene Openeye Name: methyl 3-chlorobenzoate; (sulfinoamino)methylbenzene CAS Name: 3-chlorobenzoic acid methyl ester; (sulfinoamino)methylbenzene IUPAC Name: methyl 3-chlorobenzoate; (sulfinoamino)methylbenzene Traditional Name: 3-chlorobenzoic acid methyl ester; (sulfinoamino)methylbenzene Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)Cl.C1=CC=C(C=C1)CNS(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)Cl.C1=CC=C(C=C1)CNS(=O)O

InChI

InChI=1S/C8H7ClO2.C7H9NO2S/c1-11-8(10)6-3-2-4-7(9)5-6;9-11(10)8-6-7-4-2-1-3-5-7/h2-5H,1H3;1-5,8H,6H2,(H,9,10)