[(3aR,4R,5R,7aS)-7-bromanyl-5-(1H-indol-3-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] hydrogen sulfate

Systemtic Name: [(3aR,4R,5R,7aS)-7-bromanyl-5-(1H-indol-3-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] hydrogen sulfate Openeye Name: [(3aR,4R,5R,7aS)-7-bromo-5-(1H-indol-3-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(3aR,4R,5R,7aS)-7-bromo-5-(1H-indol-3-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aR,4R,5R,7aS)-7-bromo-5-(1H-indol-3-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3aR,4R,5R,7aS)-7-bromo-5-(1H-indol-3-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(C=C(C2O1)Br)C3=CNC4=CC=CC=C43)OS(=O)(=O)O)C

Isomeric SMILES

CC1(O[C@H]2[C@@H]([C@H](C=C([C@H]2O1)Br)C3=CNC4=CC=CC=C43)OS(=O)(=O)O)C

InChI

InChI=1S/C17H18BrNO6S/c1-17(2)23-15-12(18)7-10(14(16(15)24-17)25-26(20,21)22)11-8-19-13-6-4-3-5-9(11)13/h3-8,10,14-16,19H,1-2H3,(H,20,21,22)/t10-,14-,15-,16+/m1/s1