4-[[2,7-bis(bromanyl)-9H-fluoren-9-yl]sulfanyloxycarbonylamino]benzoic acid

Systemtic Name: 4-[[2,7-bis(bromanyl)-9H-fluoren-9-yl]sulfanyloxycarbonylamino]benzoic acid Openeye Name: 4-[(2,7-dibromo-9H-fluoren-9-yl)sulfanyloxycarbonylamino]benzoic acid CAS Name: 4-[[[(2,7-dibromo-9H-fluoren-9-yl)thio]oxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2,7-dibromo-9H-fluoren-9-yl)sulfanyloxycarbonylamino]benzoic acid Traditional Name: 4-[[(2,7-dibromo-9H-fluoren-9-yl)thio]oxycarbonylamino]benzoic acid Formula: C21H13Br2NO4S MolecularWeight: 535.20522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)OSC2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)OSC2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br

InChI

InChI=1S/C21H13Br2NO4S/c22-12-3-7-15-16-8-4-13(23)10-18(16)19(17(15)9-12)29-28-21(27)24-14-5-1-11(2-6-14)20(25)26/h1-10,19H,(H,24,27)(H,25,26)