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

Systemtic Name: zinc 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate Openeye Name: zinc 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate CAS Name: zinc 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonate IUPAC Name: zinc 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate Traditional Name: zinc 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate Formula: C30H34O6S2Zn MolecularWeight: 620.12636

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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-].CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Zn+2]

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Zn+2]

InChI

InChI=1S/2C15H18O3S.Zn/c2*1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h2*5-9H,1-4H3,(H,16,17,18);/q;;+2/p-2