3-butyl-4-methoxy-7-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 3-butyl-4-methoxy-7-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 3-butyl-7-isopropyl-4-methoxy-azulene-1-sulfonic acid CAS Name: 3-butyl-4-methoxy-7-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-butyl-4-methoxy-7-propan-2-ylazulene-1-sulfonic acid Traditional Name: 3-butyl-7-isopropyl-4-methoxy-azulene-1-sulfonic acid Formula: C18H24O4S MolecularWeight: 336.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)O

InChI

InChI=1S/C18H24O4S/c1-5-6-7-14-11-17(23(19,20)21)15-10-13(12(2)3)8-9-16(22-4)18(14)15/h8-12H,5-7H2,1-4H3,(H,19,20,21)