5-[[6-oxidanylidene-6-(prop-2-ynylamino)hexyl]carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[[6-oxidanylidene-6-(prop-2-ynylamino)hexyl]carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[[6-oxo-6-(prop-2-ynylamino)hexyl]carbamoyl]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[oxo-[[6-oxo-6-(prop-2-ynylamino)hexyl]amino]methyl]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[[6-oxo-6-(prop-2-ynylamino)hexyl]carbamoyl]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-[[6-keto-6-(propargylamino)hexyl]carbamoyl]benzoic acid Formula: C30H26N2O7 MolecularWeight: 526.53664

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

C#CCNC(=O)CCCCCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C30H26N2O7/c1-2-13-31-27(35)6-4-3-5-14-32-29(36)18-7-10-21(24(15-18)30(37)38)28-22-11-8-19(33)16-25(22)39-26-17-20(34)9-12-23(26)28/h1,7-12,15-17,33H,3-6,13-14H2,(H,31,35)(H,32,36)(H,37,38)