(5-nitro-2,3-dihydro-1H-inden-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-nitro-2,3-dihydro-1H-inden-2-yl) 4-methylbenzenesulfonate Openeye Name: (5-nitroindan-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-2,3-dihydro-1H-inden-2-yl) ester IUPAC Name: (5-nitro-2,3-dihydro-1H-inden-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitroindan-2-yl) ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-11-2-6-16(7-3-11)23(20,21)22-15-9-12-4-5-14(17(18)19)8-13(12)10-15/h2-8,15H,9-10H2,1H3