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

Systemtic Name: 5-(5,5-diethoxypentanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-(5,5-diethoxypentanoylamino)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[(5,5-diethoxy-1-oxopentyl)amino]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-(5,5-diethoxypentanoylamino)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-(5,5-diethoxypentanoylamino)-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C29H29NO8 MolecularWeight: 519.54246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)OCC

Isomeric SMILES

CCOC(CCCC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)OCC

InChI

InChI=1S/C29H29NO8/c1-3-36-27(37-4-2)7-5-6-26(33)30-17-8-11-20(23(14-17)29(34)35)28-21-12-9-18(31)15-24(21)38-25-16-19(32)10-13-22(25)28/h8-16,27,31H,3-7H2,1-2H3,(H,30,33)(H,34,35)