[5-[(E)-dec-1-enyl]-2-nitro-phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-[(E)-dec-1-enyl]-2-nitro-phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [5-[(E)-dec-1-enyl]-2-nitro-phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(E)-dec-1-enyl]-2-nitrophenyl]methyl ester IUPAC Name: [5-[(E)-dec-1-enyl]-2-nitrophenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(E)-dec-1-enyl]-2-nitro-benzyl] ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC1=CC(=C(C=C1)[N+](=O)[O-])COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC/C=C/C1=CC(=C(C=C1)[N+](=O)[O-])COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H31NO5S/c1-3-4-5-6-7-8-9-10-11-21-14-17-24(25(26)27)22(18-21)19-30-31(28,29)23-15-12-20(2)13-16-23/h10-18H,3-9,19H2,1-2H3/b11-10+