4-chloranyl-3-(phenylmethyl)benzoic acid; (sulfinoamino)methane

Systemtic Name: 4-chloranyl-3-(phenylmethyl)benzoic acid; (sulfinoamino)methane Openeye Name: 3-benzyl-4-chloro-benzoic acid; (sulfinoamino)methane CAS Name: 4-chloro-3-(phenylmethyl)benzoic acid; (sulfinoamino)methane IUPAC Name: 3-benzyl-4-chlorobenzoic acid; (sulfinoamino)methane Traditional Name: 3-benzyl-4-chloro-benzoic acid; (sulfinoamino)methane Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)O.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CNS(=O)O.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H11ClO2.CH5NO2S/c15-13-7-6-11(14(16)17)9-12(13)8-10-4-2-1-3-5-10;1-2-5(3)4/h1-7,9H,8H2,(H,16,17);2H,1H3,(H,3,4)