4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid Traditional Name: 4,4-bis[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]cyclohexanecarboxylic acid Formula: C35H30N2O4S2 MolecularWeight: 606.7537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7S6

Isomeric SMILES

C1CC(CCC1C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C35H30N2O4S2/c38-34(39)23-17-19-35(20-18-23,24-9-13-26(14-10-24)40-21-32-36-28-5-1-3-7-30(28)42-32)25-11-15-27(16-12-25)41-22-33-37-29-6-2-4-8-31(29)43-33/h1-16,23H,17-22H2,(H,38,39)