2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(tetradecanoylamino)benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(tetradecanoylamino)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(tetradecanoylamino)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-(1-oxotetradecylamino)benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(tetradecanoylamino)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-(tetradecanoylamino)benzoic acid Formula: C34H39NO6 MolecularWeight: 557.67656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C34H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-32(38)35-23-14-17-26(29(20-23)34(39)40)33-27-18-15-24(36)21-30(27)41-31-22-25(37)16-19-28(31)33/h14-22,36H,2-13H2,1H3,(H,35,38)(H,39,40)