2-ethyl-3-methyl-azulene-1-sulfonic acid

Systemtic Name: 2-ethyl-3-methyl-azulene-1-sulfonic acid Openeye Name: 2-ethyl-3-methyl-azulene-1-sulfonic acid CAS Name: 2-ethyl-3-methyl-1-azulenesulfonic acid IUPAC Name: 2-ethyl-3-methylazulene-1-sulfonic acid Traditional Name: 2-ethyl-3-methyl-azulene-1-sulfonic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=CC2=C1S(=O)(=O)O)C

Isomeric SMILES

CCC1=C(C2=CC=CC=CC2=C1S(=O)(=O)O)C

InChI

InChI=1S/C13H14O3S/c1-3-10-9(2)11-7-5-4-6-8-12(11)13(10)17(14,15)16/h4-8H,3H2,1-2H3,(H,14,15,16)