sodium 2,3-bis(10-methylundecyl)naphthalene-1-sulfonate

Systemtic Name: sodium 2,3-bis(10-methylundecyl)naphthalene-1-sulfonate Openeye Name: sodium 2,3-bis(10-methylundecyl)naphthalene-1-sulfonate CAS Name: sodium 2,3-bis(10-methylundecyl)-1-naphthalenesulfonate IUPAC Name: sodium 2,3-bis(10-methylundecyl)naphthalene-1-sulfonate Traditional Name: sodium 2,3-bis(10-methylundecyl)naphthalene-1-sulfonate Formula: C34H55NaO3S MolecularWeight: 566.85347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C34H56O3S.Na/c1-28(2)21-15-11-7-5-9-13-17-23-30-27-31-24-19-20-26-33(31)34(38(35,36)37)32(30)25-18-14-10-6-8-12-16-22-29(3)4;/h19-20,24,26-29H,5-18,21-23,25H2,1-4H3,(H,35,36,37);/q;+1/p-1