4-[(2S)-1,4-bis[bis(4-methoxyphenyl)-phenyl-methoxy]butan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S)-1,4-bis[bis(4-methoxyphenyl)-phenyl-methoxy]butan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]propoxy]-4-oxo-butanoic acid CAS Name: 4-[(2S)-1,4-bis[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[(2S)-1,4-bis[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(1S)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]propoxy]-4-keto-butyric acid Formula: C50H50O10 MolecularWeight: 810.926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCC(COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC[C@@H](COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OC(=O)CCC(=O)O

InChI

InChI=1S/C50H50O10/c1-54-42-23-15-38(16-24-42)49(36-11-7-5-8-12-36,39-17-25-43(55-2)26-18-39)58-34-33-46(60-48(53)32-31-47(51)52)35-59-50(37-13-9-6-10-14-37,40-19-27-44(56-3)28-20-40)41-21-29-45(57-4)30-22-41/h5-30,46H,31-35H2,1-4H3,(H,51,52)/t46-/m0/s1