3-[2-(1,3-dithian-2-yl)-1-(9H-fluoren-1-ylmethoxycarbonyloxy)-2-phenyl-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 3-[2-(1,3-dithian-2-yl)-1-(9H-fluoren-1-ylmethoxycarbonyloxy)-2-phenyl-ethyl]-2-methoxy-benzoic acid Openeye Name: 3-[2-(1,3-dithian-2-yl)-1-(9H-fluoren-1-ylmethoxycarbonyloxy)-2-phenyl-ethyl]-2-methoxy-benzoic acid CAS Name: 3-[2-(1,3-dithian-2-yl)-1-[9H-fluoren-1-ylmethoxy(oxo)methoxy]-2-phenylethyl]-2-methoxybenzoic acid IUPAC Name: 3-[2-(1,3-dithian-2-yl)-1-(9H-fluoren-1-ylmethoxycarbonyloxy)-2-phenylethyl]-2-methoxybenzoic acid Traditional Name: 3-[2-(1,3-dithian-2-yl)-1-(9H-fluoren-1-ylmethoxycarbonyloxy)-2-phenyl-ethyl]-2-methoxy-benzoic acid Formula: C35H32O6S2 MolecularWeight: 612.75498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C(C(C2SCCCS2)C3=CC=CC=C3)OC(=O)OCC4=CC=CC5=C4CC6=CC=CC=C65)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C(C(C2SCCCS2)C3=CC=CC=C3)OC(=O)OCC4=CC=CC5=C4CC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C35H32O6S2/c1-39-31-27(16-8-17-28(31)33(36)37)32(30(22-10-3-2-4-11-22)34-42-18-9-19-43-34)41-35(38)40-21-24-13-7-15-26-25-14-6-5-12-23(25)20-29(24)26/h2-8,10-17,30,32,34H,9,18-21H2,1H3,(H,36,37)