2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(1S,3S)-6-methoxy-3-(p-tolylsulfonyloxymethyl)indan-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl ester IUPAC Name: 2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(1S,3S)-6-methoxy-3-(tosyloxymethyl)indan-1-yl]ethyl ester Formula: C27H30O7S2 MolecularWeight: 530.6529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CC(C3=C2C=C(C=C3)OC)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H]2C[C@@H](C3=C2C=C(C=C3)OC)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30O7S2/c1-19-4-9-24(10-5-19)35(28,29)33-15-14-21-16-22(26-13-8-23(32-3)17-27(21)26)18-34-36(30,31)25-11-6-20(2)7-12-25/h4-13,17,21-22H,14-16,18H2,1-3H3/t21-,22-/m1/s1