methyl (3aR,6S,7aS)-6-(2-iodanylphenoxy)-2-methyl-3,6,7,7a-tetrahydroindene-3a-carboxylate

Systemtic Name: methyl (3aR,6S,7aS)-6-(2-iodanylphenoxy)-2-methyl-3,6,7,7a-tetrahydroindene-3a-carboxylate Openeye Name: methyl (3aR,6S,7aS)-6-(2-iodophenoxy)-2-methyl-3,6,7,7a-tetrahydroindene-3a-carboxylate CAS Name: (3aR,6S,7aS)-6-(2-iodophenoxy)-2-methyl-3,6,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6S,7aS)-6-(2-iodophenoxy)-2-methyl-3,6,7,7a-tetrahydroindene-3a-carboxylate Traditional Name: (3aR,6S,7aS)-6-(2-iodophenoxy)-2-methyl-3,6,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester Formula: C18H19IO3 MolecularWeight: 410.24613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2CC(C=CC2(C1)C(=O)OC)OC3=CC=CC=C3I

Isomeric SMILES

CC1=C[C@@H]2C[C@@H](C=C[C@@]2(C1)C(=O)OC)OC3=CC=CC=C3I

InChI

InChI=1S/C18H19IO3/c1-12-9-13-10-14(22-16-6-4-3-5-15(16)19)7-8-18(13,11-12)17(20)21-2/h3-9,13-14H,10-11H2,1-2H3/t13-,14-,18+/m1/s1