2-[2-chloranyl-7-(10-methylanthracen-9-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[2-chloranyl-7-(10-methylanthracen-9-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-[2-chloro-3-hydroxy-7-(10-methyl-9-anthryl)-6-oxo-xanthen-9-yl]terephthalic acid CAS Name: 2-[2-chloro-3-hydroxy-7-(10-methyl-9-anthracenyl)-6-oxo-9-xanthenyl]terephthalic acid IUPAC Name: 2-[2-chloro-3-hydroxy-7-(10-methylanthracen-9-yl)-6-oxoxanthen-9-yl]terephthalic acid Traditional Name: 2-[2-chloro-3-hydroxy-6-keto-7-(10-methyl-9-anthryl)xanthen-9-yl]terephthalic acid Formula: C36H21ClO7 MolecularWeight: 601.00074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC5=C(C6=CC(=C(C=C6OC5=CC4=O)O)Cl)C7=C(C=CC(=C7)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC5=C(C6=CC(=C(C=C6OC5=CC4=O)O)Cl)C7=C(C=CC(=C7)C(=O)O)C(=O)O

InChI

InChI=1S/C36H21ClO7/c1-17-19-6-2-4-8-21(19)33(22-9-5-3-7-20(17)22)25-13-26-31(15-29(25)38)44-32-16-30(39)28(37)14-27(32)34(26)24-12-18(35(40)41)10-11-23(24)36(42)43/h2-16,39H,1H3,(H,40,41)(H,42,43)