sodium 3-methyl-4-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-methyl-4-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 4-isopropyl-3-methyl-azulene-1-sulfonate CAS Name: sodium 3-methyl-4-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-methyl-4-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 4-isopropyl-3-methyl-azulene-1-sulfonate Formula: C14H15NaO3S MolecularWeight: 286.32187

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-].[Na+]

Isomeric SMILES

CC1=C2C(=CC=CC=C2C(C)C)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H16O3S.Na/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);/q;+1/p-1