[4-acetyloxy-6-chloranyl-2,3-bis(hexylsulfanyl)naphthalen-1-yl] ethanoate

Systemtic Name: [4-acetyloxy-6-chloranyl-2,3-bis(hexylsulfanyl)naphthalen-1-yl] ethanoate Openeye Name: [4-acetoxy-6-chloro-2,3-bis(hexylsulfanyl)-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-6-chloro-2,3-bis(hexylthio)-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-6-chloro-2,3-bis(hexylsulfanyl)naphthalen-1-yl] acetate Traditional Name: acetic acid [4-acetoxy-6-chloro-2,3-bis(hexylthio)-1-naphthyl] ester Formula: C26H35ClO4S2 MolecularWeight: 511.1367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C2=C(C=C(C=C2)Cl)C(=C1SCCCCCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCSC1=C(C2=C(C=C(C=C2)Cl)C(=C1SCCCCCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H35ClO4S2/c1-5-7-9-11-15-32-25-23(30-18(3)28)21-14-13-20(27)17-22(21)24(31-19(4)29)26(25)33-16-12-10-8-6-2/h13-14,17H,5-12,15-16H2,1-4H3