2-chloranyl-6-nitro-benzenethiol; phenylmethoxymethylbenzene

Systemtic Name: 2-chloranyl-6-nitro-benzenethiol; phenylmethoxymethylbenzene Openeye Name: benzyloxymethylbenzene; 2-chloro-6-nitro-benzenethiol CAS Name: 2-chloro-6-nitrobenzenethiol; phenylmethoxymethylbenzene IUPAC Name: 2-chloro-6-nitrobenzenethiol; phenylmethoxymethylbenzene Traditional Name: benzoxymethylbenzene; 2-chloro-6-nitro-benzenethiol Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC=CC=C2.C1=CC(=C(C(=C1)Cl)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC=CC=C2.C1=CC(=C(C(=C1)Cl)S)[N+](=O)[O-]

InChI

InChI=1S/C14H14O.C6H4ClNO2S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;7-4-2-1-3-5(6(4)11)8(9)10/h1-10H,11-12H2;1-3,11H