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

Systemtic Name: 4-methoxy-3-pentyl-azulene-1-sulfonic acid Openeye Name: 4-methoxy-3-pentyl-azulene-1-sulfonic acid CAS Name: 4-methoxy-3-pentyl-1-azulenesulfonic acid IUPAC Name: 4-methoxy-3-pentylazulene-1-sulfonic acid Traditional Name: 3-amyl-4-methoxy-azulene-1-sulfonic acid Formula: C16H20O4S MolecularWeight: 308.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C16H20O4S/c1-3-4-5-8-12-11-15(21(17,18)19)13-9-6-7-10-14(20-2)16(12)13/h6-7,9-11H,3-5,8H2,1-2H3,(H,17,18,19)