4,6,8-trimethylazulene-1,3-disulfonic acid

Systemtic Name: 4,6,8-trimethylazulene-1,3-disulfonic acid Openeye Name: 4,6,8-trimethylazulene-1,3-disulfonic acid CAS Name: 4,6,8-trimethylazulene-1,3-disulfonic acid IUPAC Name: 4,6,8-trimethylazulene-1,3-disulfonic acid Traditional Name: 4,6,8-trimethylazulene-1,3-disulfonic acid Formula: C13H14O6S2 MolecularWeight: 330.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=C2C(=C1)C)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=C2C(=C1)C)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C13H14O6S2/c1-7-4-8(2)12-10(20(14,15)16)6-11(21(17,18)19)13(12)9(3)5-7/h4-6H,1-3H3,(H,14,15,16)(H,17,18,19)