3,4-dimethyl-2-propan-2-yl-azulene-1-sulfonic acid

Systemtic Name: 3,4-dimethyl-2-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 2-isopropyl-3,4-dimethyl-azulene-1-sulfonic acid CAS Name: 3,4-dimethyl-2-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3,4-dimethyl-2-propan-2-ylazulene-1-sulfonic acid Traditional Name: 2-isopropyl-3,4-dimethyl-azulene-1-sulfonic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C2C1=C(C(=C2S(=O)(=O)O)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C2C1=C(C(=C2S(=O)(=O)O)C(C)C)C

InChI

InChI=1S/C15H18O3S/c1-9(2)13-11(4)14-10(3)7-5-6-8-12(14)15(13)19(16,17)18/h5-9H,1-4H3,(H,16,17,18)