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

Systemtic Name: [5-chloranyl-2-(octadecylamino)-4-oxidanyl-phenyl] benzenesulfonate Openeye Name: [5-chloro-4-hydroxy-2-(octadecylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [5-chloro-4-hydroxy-2-(octadecylamino)phenyl] ester IUPAC Name: [5-chloro-4-hydroxy-2-(octadecylamino)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-chloro-4-hydroxy-2-(stearylamino)phenyl] ester Formula: C30H46ClNO4S MolecularWeight: 552.20854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC(=C(C=C1OS(=O)(=O)C2=CC=CC=C2)Cl)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC(=C(C=C1OS(=O)(=O)C2=CC=CC=C2)Cl)O

InChI

InChI=1S/C30H46ClNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-32-28-25-29(33)27(31)24-30(28)36-37(34,35)26-21-18-17-19-22-26/h17-19,21-22,24-25,32-33H,2-16,20,23H2,1H3