bis(1-adamantylmethyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(1-adamantylmethyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-adamantylmethyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate CAS Name: 5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(1-adamantylmethyl) ester IUPAC Name: bis(1-adamantylmethyl) 5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Traditional Name: 5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(1-adamantylmethyl) ester Formula: C30H38O7S MolecularWeight: 542.68352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=CC(=C4)SOOO)C(=O)OCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=CC(=C4)SOOO)C(=O)OCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H38O7S/c31-27(34-16-29-10-18-1-19(11-29)3-20(2-18)12-29)24-7-25(9-26(8-24)38-37-36-33)28(32)35-17-30-13-21-4-22(14-30)6-23(5-21)15-30/h7-9,18-23,33H,1-6,10-17H2