2-[bis(2-hydroxyethyl)amino]ethanol; 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonic acid Formula: C34H59NO9S2 MolecularWeight: 689.96356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C.C(CO)N(CCO)CCO

Isomeric SMILES

CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCC(C)C.C(CO)N(CCO)CCO

InChI

InChI=1S/C28H44O6S2.C6H15NO3/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;8-4-1-7(2-5-9)3-6-10/h13-14,18,20-22H,5-12,15-17,19H2,1-4H3,(H,29,30,31)(H,32,33,34);8-10H,1-6H2