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

Systemtic Name: bismuth 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate Openeye Name: bismuth 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate CAS Name: bismuth 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonate IUPAC Name: bismuth 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate Traditional Name: bismuth 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate Formula: C45H51BiO9S3 MolecularWeight: 1041.05642

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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-].CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Bi+3]

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-].CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Bi+3]

InChI

InChI=1S/3C15H18O3S.Bi/c3*1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h3*5-9H,1-4H3,(H,16,17,18);/q;;;+3/p-3