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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)OCCCCCCC)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)OCCCCCCC)O

InChI

InChI=1S/C36H42O6S2/c1-3-5-7-9-11-21-41-25-13-17-27(18-14-25)43-31-23-29(37)34-33(35(31)39)30(38)24-32(36(34)40)44-28-19-15-26(16-20-28)42-22-12-10-8-6-4-2/h13-20,23-24,37,39H,3-12,21-22H2,1-2H3