3-methyl-4-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 3-methyl-4-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 4-isopropyl-3-methyl-azulene-1-sulfonic acid CAS Name: 3-methyl-4-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-methyl-4-propan-2-ylazulene-1-sulfonic acid Traditional Name: 4-isopropyl-3-methyl-azulene-1-sulfonic acid Formula: C14H16O3S MolecularWeight: 264.34004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=CC=C2C(C)C)C(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C2C(=CC=CC=C2C(C)C)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C14H16O3S/c1-9(2)11-6-4-5-7-12-13(18(15,16)17)8-10(3)14(11)12/h4-9H,1-3H3,(H,15,16,17)