[2-(ethylamino)-4-oxidanyl-phenyl] 4-dodecylbenzenesulfonate

Systemtic Name: [2-(ethylamino)-4-oxidanyl-phenyl] 4-dodecylbenzenesulfonate Openeye Name: [2-(ethylamino)-4-hydroxy-phenyl] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [2-(ethylamino)-4-hydroxyphenyl] ester IUPAC Name: [2-(ethylamino)-4-hydroxyphenyl] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [2-(ethylamino)-4-hydroxy-phenyl] ester Formula: C26H39NO4S MolecularWeight: 461.65716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)O)NCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)O)NCC

InChI

InChI=1S/C26H39NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-22-15-18-24(19-16-22)32(29,30)31-26-20-17-23(28)21-25(26)27-4-2/h15-21,27-28H,3-14H2,1-2H3