sodium [2,3-bis(2-methylpropyl)naphthalen-1-yl] 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate

Systemtic Name: sodium [2,3-bis(2-methylpropyl)naphthalen-1-yl] 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate Openeye Name: sodium (2,3-diisobutyl-1-naphthyl) 2,3-diisobutylnaphthalene-1-sulfonate CAS Name: sodium 2,3-bis(2-methylpropyl)-1-naphthalenesulfonic acid [2,3-bis(2-methylpropyl)-1-naphthalenyl] ester IUPAC Name: sodium [2,3-bis(2-methylpropyl)naphthalen-1-yl] 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate Traditional Name: sodium 2,3-diisobutylnaphthalene-1-sulfonic acid (2,3-diisobutyl-1-naphthyl) ester Formula: C36H46NaO3S+ MolecularWeight: 581.80341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)OS(=O)(=O)C3=C(C(=CC4=CC=CC=C43)CC(C)C)CC(C)C.[Na+]

Isomeric SMILES

CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)OS(=O)(=O)C3=C(C(=CC4=CC=CC=C43)CC(C)C)CC(C)C.[Na+]

InChI

InChI=1S/C36H46O3S.Na/c1-23(2)17-29-21-27-13-9-11-15-31(27)35(33(29)19-25(5)6)39-40(37,38)36-32-16-12-10-14-28(32)22-30(18-24(3)4)34(36)20-26(7)8;/h9-16,21-26H,17-20H2,1-8H3;/q;+1