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

Systemtic Name: 2-[(1-chloranyl-5-methyl-2-oxidanylidene-hexan-3-yl)carbamoyl]-6-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-[[1-(2-chloroacetyl)-3-methyl-butyl]carbamoyl]-6-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-[[(1-chloro-5-methyl-2-oxohexan-3-yl)amino]-oxomethyl]-6-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-[(1-chloro-5-methyl-2-oxohexan-3-yl)carbamoyl]-6-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-[[1-(2-chloroacetyl)-3-methyl-butyl]carbamoyl]-6-(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=CC(=C1C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

CC(C)CC(C(=O)CCl)NC(=O)C1=CC=CC(=C1C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

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