[2-(octadecylamino)-4-oxidanyl-phenyl] benzenesulfonate

Systemtic Name: [2-(octadecylamino)-4-oxidanyl-phenyl] benzenesulfonate Openeye Name: [4-hydroxy-2-(octadecylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-hydroxy-2-(octadecylamino)phenyl] ester IUPAC Name: [4-hydroxy-2-(octadecylamino)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-hydroxy-2-(stearylamino)phenyl] ester Formula: C30H47NO4S MolecularWeight: 517.76348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C=CC(=C1)O)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C=CC(=C1)O)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-29-26-27(32)23-24-30(29)35-36(33,34)28-21-18-17-19-22-28/h17-19,21-24,26,31-32H,2-16,20,25H2,1H3