1,3-dimethyl-5-propan-2-yl-azulene-2-sulfonic acid

Systemtic Name: 1,3-dimethyl-5-propan-2-yl-azulene-2-sulfonic acid Openeye Name: 5-isopropyl-1,3-dimethyl-azulene-2-sulfonic acid CAS Name: 1,3-dimethyl-5-propan-2-yl-2-azulenesulfonic acid IUPAC Name: 1,3-dimethyl-5-propan-2-ylazulene-2-sulfonic acid Traditional Name: 5-isopropyl-1,3-dimethyl-azulene-2-sulfonic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=C(C=C2C(=C1S(=O)(=O)O)C)C(C)C

Isomeric SMILES

CC1=C2C=CC=C(C=C2C(=C1S(=O)(=O)O)C)C(C)C

InChI

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