3-hexadecylsulfanyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-hexadecylsulfanyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-hexadecylsulfanyl-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-(hexadecylthio)-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-hexadecylsulfanyl-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-(cetylthio)-4-hydroxy-1,2-naphthoquinone Formula: C26H38O3S MolecularWeight: 430.64312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C26H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-26-24(28)22-19-16-15-18-21(22)23(27)25(26)29/h15-16,18-19,28H,2-14,17,20H2,1H3