O1-ethyl O2-phenacyl 3,4-di(nonyl)-5-phenacyl-naphthalene-1,2-disulfonate

Systemtic Name: O1-ethyl O2-phenacyl 3,4-di(nonyl)-5-phenacyl-naphthalene-1,2-disulfonate Openeye Name: O1-ethyl O2-phenacyl 3,4-di(nonyl)-5-phenacyl-naphthalene-1,2-disulfonate CAS Name: 3,4-di(nonyl)-5-phenacylnaphthalene-1,2-disulfonic acid O1-ethyl ester O2-phenacyl ester IUPAC Name: 1-O-ethyl 2-O-phenacyl 3,4-di(nonyl)-5-phenacylnaphthalene-1,2-disulfonate Traditional Name: 3,4-di(nonyl)-5-phenacyl-naphthalene-1,2-disulfonic acid O1-ethyl ester O2-phenacyl ester Formula: C46H60O8S2 MolecularWeight: 805.0938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C2=C1C(=CC=C2)CC(=O)C3=CC=CC=C3)S(=O)(=O)OCC)S(=O)(=O)OCC(=O)C4=CC=CC=C4)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C2=C1C(=CC=C2)CC(=O)C3=CC=CC=C3)S(=O)(=O)OCC)S(=O)(=O)OCC(=O)C4=CC=CC=C4)CCCCCCCCC

InChI

InChI=1S/C46H60O8S2/c1-4-7-9-11-13-15-23-31-39-40(32-24-16-14-12-10-8-5-2)45(56(51,52)54-35-43(48)37-28-21-18-22-29-37)46(55(49,50)53-6-3)41-33-25-30-38(44(39)41)34-42(47)36-26-19-17-20-27-36/h17-22,25-30,33H,4-16,23-24,31-32,34-35H2,1-3H3