1-tert-butyl-3-methyl-naphthalene-2-sulfonic acid; 1-tert-butylnaphthalene-2-sulfonic acid

Systemtic Name: 1-tert-butyl-3-methyl-naphthalene-2-sulfonic acid; 1-tert-butylnaphthalene-2-sulfonic acid Openeye Name: 1-tert-butyl-3-methyl-naphthalene-2-sulfonic acid; 1-tert-butylnaphthalene-2-sulfonic acid CAS Name: 1-tert-butyl-3-methyl-2-naphthalenesulfonic acid; 1-tert-butyl-2-naphthalenesulfonic acid IUPAC Name: 1-tert-butyl-3-methylnaphthalene-2-sulfonic acid; 1-tert-butylnaphthalene-2-sulfonic acid Traditional Name: 1-tert-butyl-3-methyl-naphthalene-2-sulfonic acid; 1-tert-butylnaphthalene-2-sulfonic acid Formula: C29H34O6S2 MolecularWeight: 542.70666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)C(C)(C)C.CC(C)(C)C1=C(C=CC2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)C(C)(C)C.CC(C)(C)C1=C(C=CC2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C15H18O3S.C14H16O3S/c1-10-9-11-7-5-6-8-12(11)13(15(2,3)4)14(10)19(16,17)18;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)18(15,16)17/h5-9H,1-4H3,(H,16,17,18);4-9H,1-3H3,(H,15,16,17)