(E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiepan-2-ylidene)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiepan-2-ylidene)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiepan-2-ylidene)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiepan-2-ylidene)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiepan-2-ylidene)-3-oxopent-4-enoic acid Traditional Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiepan-2-ylidene)-3-keto-pent-4-enoic acid Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=C(C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)O)SC1

Isomeric SMILES

C1CCSC(=C(C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)O)SC1

InChI

InChI=1S/C17H16O5S2/c18-12(15(16(19)20)17-23-7-1-2-8-24-17)5-3-11-4-6-13-14(9-11)22-10-21-13/h3-6,9H,1-2,7-8,10H2,(H,19,20)/b5-3+