5-[(1-chloranyl-5-methyl-2-oxidanylidene-hexan-3-yl)carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[(1-chloranyl-5-methyl-2-oxidanylidene-hexan-3-yl)carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-[[1-(2-chloroacetyl)-3-methyl-butyl]carbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[[(1-chloro-5-methyl-2-oxohexan-3-yl)amino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-[(1-chloro-5-methyl-2-oxohexan-3-yl)carbamoyl]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[[1-(2-chloroacetyl)-3-methyl-butyl]carbamoyl]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C28H24ClNO7 MolecularWeight: 521.94566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClNO7/c1-14(2)9-22(23(33)13-29)30-27(34)15-3-6-18(21(10-15)28(35)36)26-19-7-4-16(31)11-24(19)37-25-12-17(32)5-8-20(25)26/h3-8,10-12,14,22,31H,9,13H2,1-2H3,(H,30,34)(H,35,36)