4-phenylbutyl 4-oxidanyl-3-[2-oxidanyl-5-(4-phenylbutoxycarbonyl)phenyl]sulfonyl-benzoate

Systemtic Name: 4-phenylbutyl 4-oxidanyl-3-[2-oxidanyl-5-(4-phenylbutoxycarbonyl)phenyl]sulfonyl-benzoate Openeye Name: 4-phenylbutyl 4-hydroxy-3-[2-hydroxy-5-(4-phenylbutoxycarbonyl)phenyl]sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[oxo(4-phenylbutoxy)methyl]phenyl]sulfonylbenzoic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 4-hydroxy-3-[2-hydroxy-5-(4-phenylbutoxycarbonyl)phenyl]sulfonylbenzoate Traditional Name: 4-hydroxy-3-[2-hydroxy-5-(4-phenylbutoxycarbonyl)phenyl]sulfonyl-benzoic acid 4-phenylbutyl ester Formula: C34H34O8S MolecularWeight: 602.69396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)C2=CC(=C(C=C2)O)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCCCCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)C2=CC(=C(C=C2)O)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCCCCC4=CC=CC=C4)O

InChI

InChI=1S/C34H34O8S/c35-29-19-17-27(33(37)41-21-9-7-15-25-11-3-1-4-12-25)23-31(29)43(39,40)32-24-28(18-20-30(32)36)34(38)42-22-10-8-16-26-13-5-2-6-14-26/h1-6,11-14,17-20,23-24,35-36H,7-10,15-16,21-22H2