2-[(2-methyl-9H-xanthen-9-yl)sulfonyl]benzoic acid

Systemtic Name: 2-[(2-methyl-9H-xanthen-9-yl)sulfonyl]benzoic acid Openeye Name: 2-[(2-methyl-9H-xanthen-9-yl)sulfonyl]benzoic acid CAS Name: 2-[(2-methyl-9H-xanthen-9-yl)sulfonyl]benzoic acid IUPAC Name: 2-[(2-methyl-9H-xanthen-9-yl)sulfonyl]benzoic acid Traditional Name: 2-[(2-methyl-9H-xanthen-9-yl)sulfonyl]benzoic acid Formula: C21H16O5S MolecularWeight: 380.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3C2S(=O)(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3C2S(=O)(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H16O5S/c1-13-10-11-18-16(12-13)20(14-6-2-4-8-17(14)26-18)27(24,25)19-9-5-3-7-15(19)21(22)23/h2-12,20H,1H3,(H,22,23)