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

Systemtic Name: 2,6-bis[(4-butoxyphenyl)sulfanyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2,6-bis[(4-butoxyphenyl)sulfanyl]-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2,6-bis[(4-butoxyphenyl)thio]-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2,6-bis[(4-butoxyphenyl)sulfanyl]-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 2,6-bis[(4-butoxyphenyl)thio]-5,8-dihydroxy-1,4-naphthoquinone Formula: C30H30O6S2 MolecularWeight: 550.6856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)OCCCC)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)OCCCC)O

InChI

InChI=1S/C30H30O6S2/c1-3-5-15-35-19-7-11-21(12-8-19)37-25-17-23(31)28-27(29(25)33)24(32)18-26(30(28)34)38-22-13-9-20(10-14-22)36-16-6-4-2/h7-14,17-18,31,33H,3-6,15-16H2,1-2H3