[7-acetyloxy-1-[(3-methylphenyl)-(4-methylphenyl)-phenyl-methoxy]-16-oxidanylidene-16-(sulfanylamino)hexadecan-8-yl] ethanoate

Systemtic Name: [7-acetyloxy-1-[(3-methylphenyl)-(4-methylphenyl)-phenyl-methoxy]-16-oxidanylidene-16-(sulfanylamino)hexadecan-8-yl] ethanoate Openeye Name: [1-[1-acetoxy-7-[m-tolyl-phenyl-(p-tolyl)methoxy]heptyl]-9-oxo-9-(sulfanylamino)nonyl] acetate CAS Name: acetic acid [7-acetyloxy-16-(mercaptoamino)-1-[(3-methylphenyl)-(4-methylphenyl)-phenylmethoxy]-16-oxohexadecan-8-yl] ester IUPAC Name: [7-acetyloxy-1-[(3-methylphenyl)-(4-methylphenyl)-phenylmethoxy]-16-oxo-16-(sulfanylamino)hexadecan-8-yl] acetate Traditional Name: acetic acid [1-[1-acetoxy-7-[m-tolyl-phenyl-(p-tolyl)methoxy]heptyl]-9-keto-9-(mercaptoamino)nonyl] ester Formula: C41H55NO6S MolecularWeight: 689.9435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC(=C3)C)OCCCCCCC(C(CCCCCCCC(=O)NS)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC(=C3)C)OCCCCCCC(C(CCCCCCCC(=O)NS)OC(=O)C)OC(=O)C

InChI

InChI=1S/C41H55NO6S/c1-31-25-27-36(28-26-31)41(35-19-11-10-12-20-35,37-21-17-18-32(2)30-37)46-29-16-9-8-14-23-39(48-34(4)44)38(47-33(3)43)22-13-6-5-7-15-24-40(45)42-49/h10-12,17-21,25-28,30,38-39,49H,5-9,13-16,22-24,29H2,1-4H3,(H,42,45)