2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-3-[3-phenyl-3-(trioxidanylsulfanyl)propyl]-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-3-[3-phenyl-3-(trioxidanylsulfanyl)propyl]-1,3-benzoxazol-3-ium Openeye Name: 2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-3-[3-phenyl-3-(trioxidanylsulfanyl)propyl]-1,3-benzoxazol-3-ium CAS Name: 3-[2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-1,3-benzoxazol-3-ium-3-yl]-1-phenyl-1-propanesulfenic acid IUPAC Name: 2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-3-[3-phenyl-3-(trioxidanylsulfanyl)propyl]-1,3-benzoxazol-3-ium Traditional Name: 2-[(E)-2-ethoxybut-1-enyl]-5-phenyl-3-[3-phenyl-3-(trioxidanylthio)propyl]-1,3-benzoxazol-3-ium Formula: C28H30NO5S+ MolecularWeight: 492.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C4=CC=CC=C4)SOOO)OCC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C4=CC=CC=C4)SOOO)/OCC

InChI

InChI=1S/C28H29NO5S/c1-3-24(31-4-2)20-28-29(18-17-27(35-34-33-30)22-13-9-6-10-14-22)25-19-23(15-16-26(25)32-28)21-11-7-5-8-12-21/h5-16,19-20,27H,3-4,17-18H2,1-2H3/p+1/b24-20+