ethanolate; [(2Z)-1-oxidanyl-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)ethylidene]oxidanium

Systemtic Name: ethanolate; [(2Z)-1-oxidanyl-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)ethylidene]oxidanium Openeye Name: ethanolate; [(2Z)-1-hydroxy-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)ethylidene]oxonium CAS Name: ethanolate; [(2Z)-1-hydroxy-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)ethylidene]oxonium IUPAC Name: ethanolate; [(2Z)-1-hydroxy-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)ethylidene]oxidanium Traditional Name: ethanolate; [(2Z)-1-hydroxy-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)ethylidene]oxonium Formula: C16H16O3S2 MolecularWeight: 320.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].C1C2=C(C(=CC(=[OH+])O)C3=CC=CC=C3S1)SC=C2

Isomeric SMILES

CC[O-].C1C2=C(/C(=C\C(=[OH+])O)/C3=CC=CC=C3S1)SC=C2

InChI

InChI=1S/C14H10O2S2.C2H5O/c15-13(16)7-11-10-3-1-2-4-12(10)18-8-9-5-6-17-14(9)11;1-2-3/h1-7H,8H2,(H,15,16);2H2,1H3/q;-1/p+1/b11-7-;