3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; N,N-diethylethanamine

Systemtic Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; N,N-diethylethanamine Openeye Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; N,N-diethylethanamine CAS Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; N,N-diethylethanamine IUPAC Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; N,N-diethylethanamine Traditional Name: 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid; triethylamine Formula: C34H59NO6S2 MolecularWeight: 641.96536

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C

Isomeric SMILES

CCN(CC)CC.CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C

InChI

InChI=1S/C28H44O6S2.C6H15N/c1-21(2)15-9-5-7-11-17-23-24-18-13-14-20-26(24)28(36(32,33)34)27(35(29,30)31)25(23)19-12-8-6-10-16-22(3)4;1-4-7(5-2)6-3/h13-14,18,20-22H,5-12,15-17,19H2,1-4H3,(H,29,30,31)(H,32,33,34);4-6H2,1-3H3