[3-(4-bromanylbutoxy)phenyl]methanesulfinic acid; 1-(diphenylmethyl)-3-methylidene-azetidine

Systemtic Name: [3-(4-bromanylbutoxy)phenyl]methanesulfinic acid; 1-(diphenylmethyl)-3-methylidene-azetidine Openeye Name: 1-benzhydryl-3-methylene-azetidine; [3-(4-bromobutoxy)phenyl]methanesulfinic acid CAS Name: [3-(4-bromobutoxy)phenyl]methanesulfinic acid; 1-(diphenylmethyl)-3-methyleneazetidine IUPAC Name: 1-benzhydryl-3-methylideneazetidine; [3-(4-bromobutoxy)phenyl]methanesulfinic acid Traditional Name: 1-benzhydryl-3-methylene-azetidine; [3-(4-bromobutoxy)phenyl]methanesulfinic acid Formula: C28H32BrNO3S MolecularWeight: 542.52758

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC(=C1)OCCCCBr)CS(=O)O

Isomeric SMILES

C=C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC(=C1)OCCCCBr)CS(=O)O

InChI

InChI=1S/C17H17N.C11H15BrO3S/c1-14-12-18(13-14)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;12-6-1-2-7-15-11-5-3-4-10(8-11)9-16(13)14/h2-11,17H,1,12-13H2;3-5,8H,1-2,6-7,9H2,(H,13,14)