2,3-bis(octylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 2,3-bis(octylsulfanyl)naphthalene-1,4-dione Openeye Name: 2,3-bis(octylsulfanyl)naphthalene-1,4-dione CAS Name: 2,3-bis(octylthio)naphthalene-1,4-dione IUPAC Name: 2,3-bis(octylsulfanyl)naphthalene-1,4-dione Traditional Name: 2,3-bis(octylthio)-1,4-naphthoquinone Formula: C26H38O2S2 MolecularWeight: 446.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)SCCCCCCCC

InChI

InChI=1S/C26H38O2S2/c1-3-5-7-9-11-15-19-29-25-23(27)21-17-13-14-18-22(21)24(28)26(25)30-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3