4-tert-butylnaphthalene-1,2,3-trisulfonic acid

Systemtic Name: 4-tert-butylnaphthalene-1,2,3-trisulfonic acid Openeye Name: 4-tert-butylnaphthalene-1,2,3-trisulfonic acid CAS Name: 4-tert-butylnaphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-tert-butylnaphthalene-1,2,3-trisulfonic acid Traditional Name: 4-tert-butylnaphthalene-1,2,3-trisulfonic acid Formula: C14H16O9S3 MolecularWeight: 424.46644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H16O9S3/c1-14(2,3)10-8-6-4-5-7-9(8)11(24(15,16)17)13(26(21,22)23)12(10)25(18,19)20/h4-7H,1-3H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)