[(2R,3R,4S,5S,6S)-6-[4-[3-(1-methyl-7-propan-2-yl-azulen-4-yl)propanoyloxymethyl]-1,2,3-triazol-1-yl]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5S,6S)-6-[4-[3-(1-methyl-7-propan-2-yl-azulen-4-yl)propanoyloxymethyl]-1,2,3-triazol-1-yl]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5S,6S)-3,4,5-tribenzoyloxy-6-[4-[3-(7-isopropyl-1-methyl-azulen-4-yl)propanoyloxymethyl]triazol-1-yl]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6S)-3,4,5-tribenzoyloxy-6-[4-[[3-(1-methyl-7-propan-2-yl-4-azulenyl)-1-oxopropoxy]methyl]-1-triazolyl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6S)-3,4,5-tribenzoyloxy-6-[4-[3-(1-methyl-7-propan-2-ylazulen-4-yl)propanoyloxymethyl]triazol-1-yl]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6S)-3,4,5-tribenzoyloxy-6-[4-[3-(7-isopropyl-1-methyl-azulen-4-yl)propanoyloxymethyl]triazol-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C54H49N3O11 MolecularWeight: 915.98036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC(=C2C=C1)CCC(=O)OCC3=CN(N=N3)C4C(C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)C(C)C

Isomeric SMILES

CC1=C2C=C(C=CC(=C2C=C1)CCC(=O)OCC3=CN(N=N3)[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)C(C)C

InChI

InChI=1S/C54H49N3O11/c1-34(2)41-26-25-36(43-28-24-35(3)44(43)30-41)27-29-46(58)63-32-42-31-57(56-55-42)50-49(68-54(62)40-22-14-7-15-23-40)48(67-53(61)39-20-12-6-13-21-39)47(66-52(60)38-18-10-5-11-19-38)45(65-50)33-64-51(59)37-16-8-4-9-17-37/h4-26,28,30-31,34,45,47-50H,27,29,32-33H2,1-3H3/t45-,47-,48+,49+,50+/m1/s1