1-methyl-4-[3-(4-nitrophenyl)prop-2-ynylsulfonyl]benzene

Systemtic Name: 1-methyl-4-[3-(4-nitrophenyl)prop-2-ynylsulfonyl]benzene Openeye Name: 1-methyl-4-[3-(4-nitrophenyl)prop-2-ynylsulfonyl]benzene CAS Name: 1-methyl-4-[3-(4-nitrophenyl)prop-2-ynylsulfonyl]benzene IUPAC Name: 1-methyl-4-[3-(4-nitrophenyl)prop-2-ynylsulfonyl]benzene Traditional Name: 1-methyl-4-[3-(4-nitrophenyl)prop-2-ynylsulfonyl]benzene Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S/c1-13-4-10-16(11-5-13)22(20,21)12-2-3-14-6-8-15(9-7-14)17(18)19/h4-11H,12H2,1H3