4-[2-bromanyl-4-(8-phenyloctylcarbamoyl)phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-bromanyl-4-(8-phenyloctylcarbamoyl)phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[2-bromo-4-(8-phenyloctylcarbamoyl)phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2-bromo-4-[oxo-(8-phenyloctylamino)methyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[2-bromo-4-(8-phenyloctylcarbamoyl)phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[2-bromo-4-(8-phenyloctylcarbamoyl)phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C28H30BrNO7S MolecularWeight: 604.5093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)Br

InChI

InChI=1S/C28H30BrNO7S/c29-24-18-21(27(32)30-17-9-4-2-1-3-6-10-20-11-7-5-8-12-20)13-16-26(24)37-38(35,36)22-14-15-23(28(33)34)25(31)19-22/h5,7-8,11-16,18-19,31H,1-4,6,9-10,17H2,(H,30,32)(H,33,34)