4-naphthalen-2-ylsulfonylbut-2-ynyl 4-bromanylbenzoate

Systemtic Name: 4-naphthalen-2-ylsulfonylbut-2-ynyl 4-bromanylbenzoate Openeye Name: 4-(2-naphthylsulfonyl)but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-(2-naphthalenylsulfonyl)but-2-ynyl ester IUPAC Name: 4-naphthalen-2-ylsulfonylbut-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-(2-naphthylsulfonyl)but-2-ynyl ester Formula: C21H15BrO4S MolecularWeight: 443.3104

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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=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrO4S/c22-19-10-7-17(8-11-19)21(23)26-13-3-4-14-27(24,25)20-12-9-16-5-1-2-6-18(16)15-20/h1-2,5-12,15H,13-14H2