(3R,5S,7R)-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxy-icosa-1,9-diyn-7-ol

Systemtic Name: (3R,5S,7R)-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxy-icosa-1,9-diyn-7-ol Openeye Name: (3R,5S,7R)-3-benzyloxy-5-[(4-methoxyphenyl)methoxy]icosa-1,9-diyn-7-ol CAS Name: (3R,5S,7R)-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxy-7-eicosa-1,9-diynol IUPAC Name: (3R,5S,7R)-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyicosa-1,9-diyn-7-ol Traditional Name: (3R,5S,7R)-3-benzoxy-5-p-anisyloxy-eicosa-1,9-diyn-7-ol Formula: C35H48O4 MolecularWeight: 532.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCC(CC(CC(C#C)OCC1=CC=CC=C1)OCC2=CC=C(C=C2)OC)O

Isomeric SMILES

CCCCCCCCCCC#CC[C@H](C[C@@H](C[C@H](C#C)OCC1=CC=CC=C1)OCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C35H48O4/c1-4-6-7-8-9-10-11-12-13-14-18-21-32(36)26-35(39-29-31-22-24-34(37-3)25-23-31)27-33(5-2)38-28-30-19-16-15-17-20-30/h2,15-17,19-20,22-25,32-33,35-36H,4,6-13,21,26-29H2,1,3H3/t32-,33+,35+/m1/s1