2,3-di(nonyl)naphthalene-1-sulfonic acid; 4-methylpentane-1,1-diamine

Systemtic Name: 2,3-di(nonyl)naphthalene-1-sulfonic acid; 4-methylpentane-1,1-diamine Openeye Name: 2,3-di(nonyl)naphthalene-1-sulfonic acid; 4-methylpentane-1,1-diamine CAS Name: 2,3-di(nonyl)-1-naphthalenesulfonic acid; 4-methylpentane-1,1-diamine IUPAC Name: 2,3-di(nonyl)naphthalene-1-sulfonic acid; 4-methylpentane-1,1-diamine Traditional Name: (1-amino-4-methyl-pentyl)amine; 2,3-di(nonyl)naphthalene-1-sulfonic acid Formula: C34H60N2O3S MolecularWeight: 576.9168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)O.CC(C)CCC(N)N

Isomeric SMILES

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)O.CC(C)CCC(N)N

InChI

InChI=1S/C28H44O3S.C6H16N2/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;1-5(2)3-4-6(7)8/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);5-6H,3-4,7-8H2,1-2H3