1,2,3,4,5,6-hexakis[(3,4-dimethoxyphenyl)methylsulfanylmethyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[(3,4-dimethoxyphenyl)methylsulfanylmethyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(3,4-dimethoxyphenyl)methylsulfanylmethyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[[(3,4-dimethoxyphenyl)methylthio]methyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(3,4-dimethoxyphenyl)methylsulfanylmethyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[(veratrylthio)methyl]benzene Formula: C66H78O12S6 MolecularWeight: 1255.70832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=C(C(=C(C(=C2CSCC3=CC(=C(C=C3)OC)OC)CSCC4=CC(=C(C=C4)OC)OC)CSCC5=CC(=C(C=C5)OC)OC)CSCC6=CC(=C(C=C6)OC)OC)CSCC7=CC(=C(C=C7)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=C(C(=C(C(=C2CSCC3=CC(=C(C=C3)OC)OC)CSCC4=CC(=C(C=C4)OC)OC)CSCC5=CC(=C(C=C5)OC)OC)CSCC6=CC(=C(C=C6)OC)OC)CSCC7=CC(=C(C=C7)OC)OC)OC

InChI

InChI=1S/C66H78O12S6/c1-67-55-19-13-43(25-61(55)73-7)31-79-37-49-50(38-80-32-44-14-20-56(68-2)62(26-44)74-8)52(40-82-34-46-16-22-58(70-4)64(28-46)76-10)54(42-84-36-48-18-24-60(72-6)66(30-48)78-12)53(41-83-35-47-17-23-59(71-5)65(29-47)77-11)51(49)39-81-33-45-15-21-57(69-3)63(27-45)75-9/h13-30H,31-42H2,1-12H3