4-naphthalen-2-ylsulfonylbut-2-ynyl 3-nitrobenzoate

Systemtic Name: 4-naphthalen-2-ylsulfonylbut-2-ynyl 3-nitrobenzoate Openeye Name: 4-(2-naphthylsulfonyl)but-2-ynyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 4-(2-naphthalenylsulfonyl)but-2-ynyl ester IUPAC Name: 4-naphthalen-2-ylsulfonylbut-2-ynyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 4-(2-naphthylsulfonyl)but-2-ynyl ester Formula: C21H15NO6S MolecularWeight: 409.4119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO6S/c23-21(18-8-5-9-19(14-18)22(24)25)28-12-3-4-13-29(26,27)20-11-10-16-6-1-2-7-17(16)15-20/h1-2,5-11,14-15H,12-13H2