[2-(2-methylheptan-4-yl)phenyl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-(2-methylheptan-4-yl)phenyl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(3-methyl-1-propyl-butyl)phenyl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(2-methylheptan-4-yl)phenyl] ester IUPAC Name: [2-(2-methylheptan-4-yl)phenyl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(3-methyl-1-propyl-butyl)phenyl] ester Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)C)C1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(CC(C)C)C1=CC=CC=C1OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClNO5S/c1-4-7-15(12-14(2)3)17-8-5-6-9-20(17)27-28(25,26)16-10-11-18(21)19(13-16)22(23)24/h5-6,8-11,13-15H,4,7,12H2,1-3H3