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

Systemtic Name: 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate Formula: C30H30N2O5S MolecularWeight: 530.6346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC

Isomeric SMILES

CCC(=CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC

InChI

InChI=1S/C30H30N2O5S/c1-3-22(20-30-32(17-10-18-38(33,34)35)25-13-8-9-14-27(25)36-30)19-29-31(4-2)26-21-24(15-16-28(26)37-29)23-11-6-5-7-12-23/h5-9,11-16,19-21H,3-4,10,17-18H2,1-2H3