4-methoxy-3-propyl-azulene-1-sulfonic acid

Systemtic Name: 4-methoxy-3-propyl-azulene-1-sulfonic acid Openeye Name: 4-methoxy-3-propyl-azulene-1-sulfonic acid CAS Name: 4-methoxy-3-propyl-1-azulenesulfonic acid IUPAC Name: 4-methoxy-3-propylazulene-1-sulfonic acid Traditional Name: 4-methoxy-3-propyl-azulene-1-sulfonic acid Formula: C14H16O4S MolecularWeight: 280.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)O

Isomeric SMILES

CCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C14H16O4S/c1-3-6-10-9-13(19(15,16)17)11-7-4-5-8-12(18-2)14(10)11/h4-5,7-9H,3,6H2,1-2H3,(H,15,16,17)