3-[5-chloranyl-2-[(E)-2-[(Z)-(5-chloranyl-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[5-chloranyl-2-[(E)-2-[(Z)-(5-chloranyl-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[5-chloro-2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[5-chloro-2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[5-chloro-2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[5-chloro-2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C24H24Cl2N2O5S MolecularWeight: 523.42876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)Cl)CC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])/C=C\3/N(C4=C(O3)C=CC(=C4)Cl)CC

InChI

InChI=1S/C24H24Cl2N2O5S/c1-3-16(12-23-27(4-2)19-14-17(25)6-8-21(19)32-23)13-24-28(10-5-11-34(29,30)31)20-15-18(26)7-9-22(20)33-24/h6-9,12-15H,3-5,10-11H2,1-2H3