6-(1-adamantyl)-3-[[6-(1-adamantyl)-2-oxidanylidene-chromen-3-yl]disulfanyl]chromen-2-one

Systemtic Name: 6-(1-adamantyl)-3-[[6-(1-adamantyl)-2-oxidanylidene-chromen-3-yl]disulfanyl]chromen-2-one Openeye Name: 6-(1-adamantyl)-3-[[6-(1-adamantyl)-2-oxo-chromen-3-yl]disulfanyl]chromen-2-one CAS Name: 6-(1-adamantyl)-3-[[6-(1-adamantyl)-2-oxo-1-benzopyran-3-yl]disulfanyl]-1-benzopyran-2-one IUPAC Name: 6-(1-adamantyl)-3-[[6-(1-adamantyl)-2-oxochromen-3-yl]disulfanyl]chromen-2-one Traditional Name: 6-(1-adamantyl)-3-[[6-(1-adamantyl)-2-keto-chromen-3-yl]disulfanyl]coumarin Formula: C38H38O4S2 MolecularWeight: 622.83592

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=O)C(=C5)SSC6=CC7=C(C=CC(=C7)C89CC1CC(C8)CC(C1)C9)OC6=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=O)C(=C5)SSC6=CC7=C(C=CC(=C7)C89CC1CC(C8)CC(C1)C9)OC6=O

InChI

InChI=1S/C38H38O4S2/c39-35-33(13-27-11-29(1-3-31(27)41-35)37-15-21-5-22(16-37)7-23(6-21)17-37)43-44-34-14-28-12-30(2-4-32(28)42-36(34)40)38-18-24-8-25(19-38)10-26(9-24)20-38/h1-4,11-14,21-26H,5-10,15-20H2