3-[9-(3-oxidanylprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]prop-2-yn-1-ol

Systemtic Name: 3-[9-(3-oxidanylprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]prop-2-yn-1-ol Openeye Name: 3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis(2-triisopropylsilylethynyl)pentacen-2-yl]prop-2-yn-1-ol CAS Name: 3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]-2-pentacenyl]-2-propyn-1-ol IUPAC Name: 3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]prop-2-yn-1-ol Traditional Name: 3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis(2-triisopropylsilylethynyl)pentacen-2-yl]prop-2-yn-1-ol Formula: C50H58O2Si2 MolecularWeight: 747.16532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si](C#CC1=C2C=C3C=C(C=CC3=CC2=C(C4=C1C=C5C=CC(=CC5=C4)C#CCO)C#C[Si](C(C)C)(C(C)C)C(C)C)C#CCO)(C(C)C)C(C)C

Isomeric SMILES

CC(C)[Si](C#CC1=C2C=C3C=C(C=CC3=CC2=C(C4=C1C=C5C=CC(=CC5=C4)C#CCO)C#C[Si](C(C)C)(C(C)C)C(C)C)C#CCO)(C(C)C)C(C)C

InChI

InChI=1S/C50H58O2Si2/c1-33(2)53(34(3)4,35(5)6)25-21-45-47-29-41-19-17-40(16-14-24-52)28-44(41)32-50(47)46(22-26-54(36(7)8,37(9)10)38(11)12)48-30-42-20-18-39(15-13-23-51)27-43(42)31-49(45)48/h17-20,27-38,51-52H,23-24H2,1-12H3