(2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-pyren-1-yl-pent-4-yn-2-ol

Systemtic Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-pyren-1-yl-pent-4-yn-2-ol Openeye Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-pyren-1-yl-pent-4-yn-2-ol CAS Name: (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(1-pyrenyl)-4-pentyn-2-ol IUPAC Name: (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-5-pyren-1-ylpent-4-yn-2-ol Traditional Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-pyren-1-yl-pent-4-yn-2-ol Formula: C42H34O4 MolecularWeight: 602.71696

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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(CC#CC4=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)OC[C@H](CC#CC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O

InChI

InChI=1S/C42H34O4/c1-44-37-23-19-34(20-24-37)42(33-11-4-3-5-12-33,35-21-25-38(45-2)26-22-35)46-28-36(43)13-7-8-29-14-15-32-17-16-30-9-6-10-31-18-27-39(29)41(32)40(30)31/h3-6,9-12,14-27,36,43H,13,28H2,1-2H3/t36-/m0/s1