2,5-bis[bis(3-methylazulen-1-yl)methyl]thieno[3,2-b]thiophene

Systemtic Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thieno[3,2-b]thiophene Openeye Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thieno[3,2-b]thiophene CAS Name: 2,5-bis[bis(3-methyl-1-azulenyl)methyl]thieno[3,2-b]thiophene IUPAC Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thieno[3,2-b]thiophene Traditional Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thieno[3,2-b]thiophene Formula: C52H40S2 MolecularWeight: 729.004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=CC=CC=C2)C(C3=CC4=C(S3)C=C(S4)C(C5=C6C=CC=CC=C6C(=C5)C)C7=C8C=CC=CC=C8C(=C7)C)C9=C1C=CC=CC=C1C(=C9)C

Isomeric SMILES

CC1=CC(=C2C1=CC=CC=C2)C(C3=CC4=C(S3)C=C(S4)C(C5=C6C=CC=CC=C6C(=C5)C)C7=C8C=CC=CC=C8C(=C7)C)C9=C1C=CC=CC=C1C(=C9)C

InChI

InChI=1S/C52H40S2/c1-31-25-43(39-21-13-5-9-17-35(31)39)51(44-26-32(2)36-18-10-6-14-22-40(36)44)49-29-47-48(53-49)30-50(54-47)52(45-27-33(3)37-19-11-7-15-23-41(37)45)46-28-34(4)38-20-12-8-16-24-42(38)46/h5-30,51-52H,1-4H3