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4,6-dimethyl-6-nitro-1-propyl-cyclohexa-2,4-diene-1-sulfonic acid

4,6-dimethyl-6-nitro-1-propyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name:4,6-dimethyl-6-nitro-1-propyl-cyclohexa-2,4-diene-1-sulfonic acid
Openeye Name:4,6-dimethyl-6-nitro-1-propyl-cyclohexa-2,4-diene-1-sulfonic acid
CAS Name:4,6-dimethyl-6-nitro-1-propyl-1-cyclohexa-2,4-dienesulfonic acid
IUPAC Name:4,6-dimethyl-6-nitro-1-propylcyclohexa-2,4-diene-1-sulfonic acid
Traditional Name:4,6-dimethyl-6-nitro-1-propyl-cyclohexa-2,4-diene-1-sulfonic acid
Formula: C11H17NO5S
MolecularWeight: 275.32138
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=CC(=CC1(C)[N+](=O)[O-])C)S(=O)(=O)O


Isomeric SMILES

CCCC1(C=CC(=CC1(C)[N+](=O)[O-])C)S(=O)(=O)O


InChI

InChI=1S/C11H17NO5S/c1-4-6-11(18(15,16)17)7-5-9(2)8-10(11,3)12(13)14/h5,7-8H,4,6H2,1-3H3,(H,15,16,17)


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