bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-oxidanyl-phenyl]methanone

Systemtic Name: bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-oxidanyl-phenyl]methanone Openeye Name: bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-hydroxy-phenyl]methanone CAS Name: bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-hydroxyphenyl]methanone IUPAC Name: bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-hydroxyphenyl]methanone Traditional Name: bis[4-[1-[4-(1,3-benzoxazol-2-yl)phenoxy]propoxy]-2-hydroxy-phenyl]methanone Formula: C45H36N2O9 MolecularWeight: 748.77534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)OC4=CC(=C(C=C4)C(=O)C5=C(C=C(C=C5)OC(CC)OC6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O)O

Isomeric SMILES

CCC(OC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)OC4=CC(=C(C=C4)C(=O)C5=C(C=C(C=C5)OC(CC)OC6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)O)O

InChI

InChI=1S/C45H36N2O9/c1-3-41(51-29-17-13-27(14-18-29)44-46-35-9-5-7-11-39(35)55-44)53-31-21-23-33(37(48)25-31)43(50)34-24-22-32(26-38(34)49)54-42(4-2)52-30-19-15-28(16-20-30)45-47-36-10-6-8-12-40(36)56-45/h5-26,41-42,48-49H,3-4H2,1-2H3