2,3-bis(7-methyloctyl)naphthalene-1-sulfonic acid; ethane-1,2-diamine

Systemtic Name: 2,3-bis(7-methyloctyl)naphthalene-1-sulfonic acid; ethane-1,2-diamine Openeye Name: 2,3-bis(7-methyloctyl)naphthalene-1-sulfonic acid; ethane-1,2-diamine CAS Name: 2,3-bis(7-methyloctyl)-1-naphthalenesulfonic acid; ethane-1,2-diamine IUPAC Name: 2,3-bis(7-methyloctyl)naphthalene-1-sulfonic acid; ethane-1,2-diamine Traditional Name: 2-aminoethylamine; 2,3-bis(7-methyloctyl)naphthalene-1-sulfonic acid Formula: C58H96N2O6S2 MolecularWeight: 981.52264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)O.CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)O.C(CN)N

Isomeric SMILES

CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)O.CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)O.C(CN)N

InChI

InChI=1S/2C28H44O3S.C2H8N2/c2*1-22(2)15-9-5-7-11-17-24-21-25-18-13-14-20-27(25)28(32(29,30)31)26(24)19-12-8-6-10-16-23(3)4;3-1-2-4/h2*13-14,18,20-23H,5-12,15-17,19H2,1-4H3,(H,29,30,31);1-4H2