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

Systemtic Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thiophene Openeye Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thiophene CAS Name: 2,5-bis[bis(3-methyl-1-azulenyl)methyl]thiophene IUPAC Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thiophene Traditional Name: 2,5-bis[bis(3-methylazulen-1-yl)methyl]thiophene Formula: C50H40S MolecularWeight: 672.9176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=CC=CC=C2)C(C3=CC=C(S3)C(C4=C5C=CC=CC=C5C(=C4)C)C6=C7C=CC=CC=C7C(=C6)C)C8=C9C=CC=CC=C9C(=C8)C

Isomeric SMILES

CC1=CC(=C2C1=CC=CC=C2)C(C3=CC=C(S3)C(C4=C5C=CC=CC=C5C(=C4)C)C6=C7C=CC=CC=C7C(=C6)C)C8=C9C=CC=CC=C9C(=C8)C

InChI

InChI=1S/C50H40S/c1-31-27-43(39-21-13-5-9-17-35(31)39)49(44-28-32(2)36-18-10-6-14-22-40(36)44)47-25-26-48(51-47)50(45-29-33(3)37-19-11-7-15-23-41(37)45)46-30-34(4)38-20-12-8-16-24-42(38)46/h5-30,49-50H,1-4H3