1-pentylcyclohexa-2,4-diene-1-sulfonic acid; pyridin-1-ium

Systemtic Name: 1-pentylcyclohexa-2,4-diene-1-sulfonic acid; pyridin-1-ium Openeye Name: 1-pentylcyclohexa-2,4-diene-1-sulfonic acid; pyridin-1-ium CAS Name: 1-pentyl-1-cyclohexa-2,4-dienesulfonic acid; pyridin-1-ium IUPAC Name: 1-pentylcyclohexa-2,4-diene-1-sulfonic acid; pyridin-1-ium Traditional Name: 1-amylcyclohexa-2,4-diene-1-sulfonic acid; pyridin-1-ium Formula: C16H24NO3S+ MolecularWeight: 310.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC=CC=C1)S(=O)(=O)O.C1=CC=[NH+]C=C1

Isomeric SMILES

CCCCCC1(CC=CC=C1)S(=O)(=O)O.C1=CC=[NH+]C=C1

InChI

InChI=1S/C11H18O3S.C5H5N/c1-2-3-5-8-11(15(12,13)14)9-6-4-7-10-11;1-2-4-6-5-3-1/h4,6-7,9H,2-3,5,8,10H2,1H3,(H,12,13,14);1-5H/p+1