(1Z,3Z)-1,3-bis(5-tert-butyl-1,3-benzodithiol-2-ylidene)propan-2-one

Systemtic Name: (1Z,3Z)-1,3-bis(5-tert-butyl-1,3-benzodithiol-2-ylidene)propan-2-one Openeye Name: (1Z,3Z)-1,3-bis(5-tert-butyl-1,3-benzodithiol-2-ylidene)propan-2-one CAS Name: (1Z,3Z)-1,3-bis(5-tert-butyl-1,3-benzodithiol-2-ylidene)-2-propanone IUPAC Name: (1Z,3Z)-1,3-bis(5-tert-butyl-1,3-benzodithiol-2-ylidene)propan-2-one Traditional Name: (1Z,3Z)-1,3-bis(5-tert-butyl-1,3-benzodithiol-2-ylidene)acetone Formula: C25H26OS4 MolecularWeight: 470.73334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC(=CC(=O)C=C3SC4=C(S3)C=C(C=C4)C(C)(C)C)S2

Isomeric SMILES

CC(C1=CC2=C(S/C(=C/C(=O)/C=C/3\SC4=C(S3)C=CC(=C4)C(C)(C)C)/S2)C=C1)(C)C

InChI

InChI=1S/C25H26OS4/c1-24(2,3)15-7-9-18-20(11-15)29-22(27-18)13-17(26)14-23-28-19-10-8-16(25(4,5)6)12-21(19)30-23/h7-14H,1-6H3/b22-13-,23-14-