cyclopenta-1,3-diene; 1,2,3,4,5,6-hexakis-phenylbenzene; molybdenum

Systemtic Name: cyclopenta-1,3-diene; 1,2,3,4,5,6-hexakis-phenylbenzene; molybdenum Openeye Name: cyclopenta-1,3-diene; 1,2,3,4,5,6-hexakis-phenylbenzene; molybdenum CAS Name: cyclopenta-1,3-diene; 1,2,3,4,5,6-hexakis-phenylbenzene; molybdenum IUPAC Name: cyclopenta-1,3-diene; 1,2,3,4,5,6-hexakis-phenylbenzene; molybdenum Traditional Name: cyclopenta-1,3-diene; 1,2,3,4,5,6-hexakis-phenylbenzene; molybdenum Formula: C47H35Mo- MolecularWeight: 695.7208

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Mo]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Mo]

InChI

InChI=1S/C42H30.C5H5.Mo/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-2-4-5-3-1;/h1-30H;1-5H;/q;-1;