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

Systemtic Name: 2,6-bis[(4-hexylphenyl)sulfanyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2,6-bis[(4-hexylphenyl)sulfanyl]-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2,6-bis[(4-hexylphenyl)thio]-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2,6-bis[(4-hexylphenyl)sulfanyl]-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 2,6-bis[(4-hexylphenyl)thio]-5,8-dihydroxy-1,4-naphthoquinone Formula: C34H38O4S2 MolecularWeight: 574.79312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCCCC)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCCCC)O

InChI

InChI=1S/C34H38O4S2/c1-3-5-7-9-11-23-13-17-25(18-14-23)39-29-21-27(35)32-31(33(29)37)28(36)22-30(34(32)38)40-26-19-15-24(16-20-26)12-10-8-6-4-2/h13-22,35,37H,3-12H2,1-2H3