1,3-ditert-butylazulene-5-sulfonic acid

Systemtic Name: 1,3-ditert-butylazulene-5-sulfonic acid Openeye Name: 1,3-ditert-butylazulene-5-sulfonic acid CAS Name: 1,3-ditert-butyl-5-azulenesulfonic acid IUPAC Name: 1,3-ditert-butylazulene-5-sulfonic acid Traditional Name: 1,3-ditert-butylazulene-5-sulfonic acid Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3S/c1-17(2,3)15-11-16(18(4,5)6)14-10-12(22(19,20)21)8-7-9-13(14)15/h7-11H,1-6H3,(H,19,20,21)