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

Systemtic Name: 2,6-bis[(4-butylphenyl)sulfanyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 2,6-bis[(4-butylphenyl)sulfanyl]-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 2,6-bis[(4-butylphenyl)thio]-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 2,6-bis[(4-butylphenyl)sulfanyl]-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 2,6-bis[(4-butylphenyl)thio]-5,8-dihydroxy-1,4-naphthoquinone Formula: C30H30O4S2 MolecularWeight: 518.6868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCC)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCC)O

InChI

InChI=1S/C30H30O4S2/c1-3-5-7-19-9-13-21(14-10-19)35-25-17-23(31)28-27(29(25)33)24(32)18-26(30(28)34)36-22-15-11-20(12-16-22)8-6-4-2/h9-18,31,33H,3-8H2,1-2H3