3,8-bis(2,2-diethoxyethanoyl)benzo[b][1]benzothiepine-5,6-dione

Systemtic Name: 3,8-bis(2,2-diethoxyethanoyl)benzo[b][1]benzothiepine-5,6-dione Openeye Name: 3,8-bis(2,2-diethoxyacetyl)benzo[b][1]benzothiepine-5,6-dione CAS Name: 3,8-bis(2,2-diethoxy-1-oxoethyl)benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3,8-bis(2,2-diethoxyacetyl)benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3,8-bis(2,2-diethoxyacetyl)benzo[b][1]benzothiepin-5,6-quinone Formula: C26H28O8S MolecularWeight: 500.56072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(OCC)OCC)C(=O)C2=O)OCC

Isomeric SMILES

CCOC(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(OCC)OCC)C(=O)C2=O)OCC

InChI

InChI=1S/C26H28O8S/c1-5-31-25(32-6-2)21(27)15-9-11-19-17(13-15)23(29)24(30)18-14-16(10-12-20(18)35-19)22(28)26(33-7-3)34-8-4/h9-14,25-26H,5-8H2,1-4H3