4-isothiocyanato-7-octadecylsulfanyl-naphthalen-1-ol

Systemtic Name: 4-isothiocyanato-7-octadecylsulfanyl-naphthalen-1-ol Openeye Name: 4-isothiocyanato-7-octadecylsulfanyl-naphthalen-1-ol CAS Name: 4-isothiocyanato-7-(octadecylthio)-1-naphthalenol IUPAC Name: 4-isothiocyanato-7-octadecylsulfanylnaphthalen-1-ol Traditional Name: 4-isothiocyanato-7-(stearylthio)-1-naphthol Formula: C29H43NOS2 MolecularWeight: 485.78782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC2=C(C=CC(=C2C=C1)N=C=S)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC2=C(C=CC(=C2C=C1)N=C=S)O

InChI

InChI=1S/C29H43NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-18-19-26-27(23-25)29(31)21-20-28(26)30-24-32/h18-21,23,31H,2-17,22H2,1H3