4-(hexylcarbamoyl)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 4-(hexylcarbamoyl)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 4-(hexylcarbamoyl)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 4-[(hexylamino)-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 4-(hexylcarbamoyl)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 4-(hexylcarbamoyl)-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C27H25NO6 MolecularWeight: 459.4905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C27H25NO6/c1-2-3-4-5-12-28-26(31)16-6-9-19(27(32)33)22(13-16)25-20-10-7-17(29)14-23(20)34-24-15-18(30)8-11-21(24)25/h6-11,13-15,29H,2-5,12H2,1H3,(H,28,31)(H,32,33)