1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-pyren-1-ylbutoxy)propan-2-ol

Systemtic Name: 1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-pyren-1-ylbutoxy)propan-2-ol Openeye Name: 1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-pyren-1-ylbutoxy)propan-2-ol CAS Name: 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[4-(1-pyrenyl)butoxy]-2-propanol IUPAC Name: 1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-pyren-1-ylbutoxy)propan-2-ol Traditional Name: 1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(4-pyren-1-ylbutoxy)propan-2-ol Formula: C44H42O5 MolecularWeight: 650.80128

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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)OCC(COCCCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(COCCCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O

InChI

InChI=1S/C44H42O5/c1-46-39-23-19-36(20-24-39)44(35-12-4-3-5-13-35,37-21-25-40(47-2)26-22-37)49-30-38(45)29-48-28-7-6-9-31-14-15-34-17-16-32-10-8-11-33-18-27-41(31)43(34)42(32)33/h3-5,8,10-27,38,45H,6-7,9,28-30H2,1-2H3