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

Systemtic Name: 2,6-bis[(4-octylphenyl)sulfanyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2,6-bis[(4-octylphenyl)sulfanyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2,6-bis[(4-octylphenyl)thio]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2,6-bis[(4-octylphenyl)sulfanyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2,6-bis[(4-octylphenyl)thio]-1,4-naphthoquinone Formula: C38H46O4S2 MolecularWeight: 630.89944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCCCCCC)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCCCCCC)O

InChI

InChI=1S/C38H46O4S2/c1-3-5-7-9-11-13-15-27-17-21-29(22-18-27)43-33-25-31(39)36-35(37(33)41)32(40)26-34(38(36)42)44-30-23-19-28(20-24-30)16-14-12-10-8-6-4-2/h17-26,39,41H,3-16H2,1-2H3