[(3aS,4R,7aR)-6-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-iodanylbenzoate

Systemtic Name: [(3aS,4R,7aR)-6-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-iodanylbenzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [(3aS,4R,7aR)-6-[[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aR)-6-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [(3aS,4R,7aR)-2,2-diamyl-6-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C34H50INO8 MolecularWeight: 727.66717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=C(C=C3)I)C(=O)NC(CCC(=O)OC(C)(C)C)CO)CCCCC

Isomeric SMILES

CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)I)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC

InChI

InChI=1S/C34H50INO8/c1-6-8-10-18-34(19-11-9-7-2)42-28-21-24(31(39)36-26(22-37)16-17-29(38)43-33(3,4)5)20-27(30(28)44-34)41-32(40)23-12-14-25(35)15-13-23/h12-15,21,26-28,30,37H,6-11,16-20,22H2,1-5H3,(H,36,39)/t26-,27+,28+,30-/m0/s1