tris(2,2,6,6-tetramethyl-8-prop-2-ynylsulfanyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl)methanol

Systemtic Name: tris(2,2,6,6-tetramethyl-8-prop-2-ynylsulfanyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl)methanol Openeye Name: tris(2,2,6,6-tetramethyl-8-prop-2-ynylsulfanyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl)methanol CAS Name: tris[2,2,6,6-tetramethyl-8-(prop-2-ynylthio)-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl]methanol IUPAC Name: tris(2,2,6,6-tetramethyl-8-prop-2-ynylsulfanyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl)methanol Traditional Name: tris[2,2,6,6-tetramethyl-8-(propargylthio)-[1,3]dioxolo[4,5-f][1,3]benzodioxol-4-yl]methanol Formula: C46H46O13S3 MolecularWeight: 903.04464

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(C3=C(C(=C2O1)SCC#C)OC(O3)(C)C)C(C4=C5C(=C(C6=C4OC(O6)(C)C)SCC#C)OC(O5)(C)C)(C7=C8C(=C(C9=C7OC(O9)(C)C)SCC#C)OC(O8)(C)C)O)C

Isomeric SMILES

CC1(OC2=C(C3=C(C(=C2O1)SCC#C)OC(O3)(C)C)C(C4=C5C(=C(C6=C4OC(O6)(C)C)SCC#C)OC(O5)(C)C)(C7=C8C(=C(C9=C7OC(O9)(C)C)SCC#C)OC(O8)(C)C)O)C

InChI

InChI=1S/C46H46O13S3/c1-16-19-60-37-31-25(48-40(4,5)54-31)22(26-32(37)55-41(6,7)49-26)46(47,23-27-33(56-42(8,9)50-27)38(61-20-17-2)34-28(23)51-43(10,11)57-34)24-29-35(58-44(12,13)52-29)39(62-21-18-3)36-30(24)53-45(14,15)59-36/h1-3,47H,19-21H2,4-15H3