2,6-bis[(4-hexoxyphenyl)methylsulfanyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2,6-bis[(4-hexoxyphenyl)methylsulfanyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2,6-bis[(4-hexoxyphenyl)methylsulfanyl]-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2,6-bis[(4-hexoxyphenyl)methylthio]-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2,6-bis[(4-hexoxyphenyl)methylsulfanyl]-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 2,6-bis[(4-hexoxybenzyl)thio]-5,8-dihydroxy-1,4-naphthoquinone Formula: C36H42O6S2 MolecularWeight: 634.84508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CSC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SCC4=CC=C(C=C4)OCCCCCC)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CSC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SCC4=CC=C(C=C4)OCCCCCC)O

InChI

InChI=1S/C36H42O6S2/c1-3-5-7-9-19-41-27-15-11-25(12-16-27)23-43-31-21-29(37)34-33(35(31)39)30(38)22-32(36(34)40)44-24-26-13-17-28(18-14-26)42-20-10-8-6-4-2/h11-18,21-22,37,39H,3-10,19-20,23-24H2,1-2H3