4,5-bis(3-methylbutyl)naphthalene-1-sulfonic acid

Systemtic Name: 4,5-bis(3-methylbutyl)naphthalene-1-sulfonic acid Openeye Name: 4,5-diisopentylnaphthalene-1-sulfonic acid CAS Name: 4,5-bis(3-methylbutyl)-1-naphthalenesulfonic acid IUPAC Name: 4,5-bis(3-methylbutyl)naphthalene-1-sulfonic acid Traditional Name: 4,5-diisoamylnaphthalene-1-sulfonic acid Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2CCC(C)C

Isomeric SMILES

CC(C)CCC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2CCC(C)C

InChI

InChI=1S/C20H28O3S/c1-14(2)8-10-16-6-5-7-18-19(24(21,22)23)13-12-17(20(16)18)11-9-15(3)4/h5-7,12-15H,8-11H2,1-4H3,(H,21,22,23)