1,3-ditert-butylazulene-5,7-disulfonic acid

Systemtic Name: 1,3-ditert-butylazulene-5,7-disulfonic acid Openeye Name: 1,3-ditert-butylazulene-5,7-disulfonic acid CAS Name: 1,3-ditert-butylazulene-5,7-disulfonic acid IUPAC Name: 1,3-ditert-butylazulene-5,7-disulfonic acid Traditional Name: 1,3-ditert-butylazulene-5,7-disulfonic acid Formula: C18H24O6S2 MolecularWeight: 400.50956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C1=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C1=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C

InChI

InChI=1S/C18H24O6S2/c1-17(2,3)15-10-16(18(4,5)6)14-9-12(26(22,23)24)7-11(8-13(14)15)25(19,20)21/h7-10H,1-6H3,(H,19,20,21)(H,22,23,24)