[(3aR,5R,6S,7R,7aR)-1-[(Z)-1-[chloranyl(ethyl)alumanyl]oxy-3-methyl-pent-1-enyl]-2-oxidanylidene-6,7-bis(phenylcarbonyloxy)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl benzoate

Systemtic Name: [(3aR,5R,6S,7R,7aR)-1-[(Z)-1-[chloranyl(ethyl)alumanyl]oxy-3-methyl-pent-1-enyl]-2-oxidanylidene-6,7-bis(phenylcarbonyloxy)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl benzoate Openeye Name: [(3aR,5R,6S,7R,7aR)-6,7-dibenzoyloxy-1-[(Z)-1-[chloro(ethyl)alumanyl]oxy-3-methyl-pent-1-enyl]-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-5-yl]methyl benzoate CAS Name: benzoic acid [(3aR,5R,6S,7R,7aR)-6,7-dibenzoyloxy-1-[(Z)-1-[chloro(ethyl)alumanyl]oxy-3-methylpent-1-enyl]-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-5-yl]methyl ester IUPAC Name: [(3aR,5R,6S,7R,7aR)-6,7-dibenzoyloxy-1-[(Z)-1-[chloro(ethyl)alumanyl]oxy-3-methylpent-1-enyl]-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl benzoate Traditional Name: benzoic acid [(3aR,5R,6S,7R,7aR)-6,7-dibenzoyloxy-1-[(Z)-1-[chloro(ethyl)alumanyl]oxy-3-methyl-pent-1-enyl]-2-keto-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-5-yl]methyl ester Formula: C36H37AlClNO10 MolecularWeight: 706.114218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C=C(N1C2C(C(C(OC2OC1=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O[Al](CC)Cl

Isomeric SMILES

CCC(C)/C=C(/N1[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC1=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)\O[Al](CC)Cl

InChI

InChI=1S/C34H33NO10.C2H5.Al.ClH/c1-3-21(2)19-26(36)35-27-29(44-32(39)24-17-11-6-12-18-24)28(43-31(38)23-15-9-5-10-16-23)25(42-33(27)45-34(35)40)20-41-30(37)22-13-7-4-8-14-22;1-2;;/h4-19,21,25,27-29,33,36H,3,20H2,1-2H3;1H2,2H3;;1H/q;;+2;/p-2/b26-19-;;;/t21?,25-,27-,28-,29-,33-;;;/m1.../s1