3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate

Systemtic Name: 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate Openeye Name: 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate CAS Name: 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonate IUPAC Name: 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate Traditional Name: 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate Formula: C15H17O3S- MolecularWeight: 277.35868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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