3-[2-[(E)-(3-butyl-5-chloranyl-1,3-benzothiazol-2-ylidene)methyl]-5-phenyl-1-benzofuran-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-(3-butyl-5-chloranyl-1,3-benzothiazol-2-ylidene)methyl]-5-phenyl-1-benzofuran-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-(3-butyl-5-chloro-1,3-benzothiazol-2-ylidene)methyl]-5-phenyl-benzofuran-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-(3-butyl-5-chloro-1,3-benzothiazol-2-ylidene)methyl]-5-phenyl-3-benzofuranyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-(3-butyl-5-chloro-1,3-benzothiazol-2-ylidene)methyl]-5-phenyl-1-benzofuran-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-(3-butyl-5-chloro-1,3-benzothiazol-2-ylidene)methyl]-5-phenyl-benzofuran-3-yl]propane-1-sulfonate Formula: C29H27ClNO4S2- MolecularWeight: 553.11198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)Cl)SC1=CC3=C(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCN\1C2=C(C=CC(=C2)Cl)S/C1=C/C3=C(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C29H28ClNO4S2/c1-2-3-15-31-25-18-22(30)12-14-28(25)36-29(31)19-27-23(10-7-16-37(32,33)34)24-17-21(11-13-26(24)35-27)20-8-5-4-6-9-20/h4-6,8-9,11-14,17-19H,2-3,7,10,15-16H2,1H3,(H,32,33,34)/p-1/b29-19+