3-pentylazulene-1-sulfonic acid

Systemtic Name: 3-pentylazulene-1-sulfonic acid Openeye Name: 3-pentylazulene-1-sulfonic acid CAS Name: 3-pentyl-1-azulenesulfonic acid IUPAC Name: 3-pentylazulene-1-sulfonic acid Traditional Name: 3-amylazulene-1-sulfonic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H18O3S/c1-2-3-5-8-12-11-15(19(16,17)18)14-10-7-4-6-9-13(12)14/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,16,17,18)