9,10-dimethoxy-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[e]azulene-8-sulfinic acid

Systemtic Name: 9,10-dimethoxy-4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[e]azulene-8-sulfinic acid Openeye Name: 9,10-dimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulene-8-sulfinic acid CAS Name: 9,10-dimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulene-8-sulfinic acid IUPAC Name: 9,10-dimethoxy-4-oxo-2,3,5,6-tetrahydro-1H-benzo[e]azulene-8-sulfinic acid Traditional Name: 4-keto-9,10-dimethoxy-2,3,5,6-tetrahydro-1H-benz[e]azulene-8-sulfinic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(=O)C3=C(C2=C1OC)CCC3)S(=O)O

Isomeric SMILES

COC1=C(C=C2CCC(=O)C3=C(C2=C1OC)CCC3)S(=O)O

InChI

InChI=1S/C16H18O5S/c1-20-15-13(22(18)19)8-9-6-7-12(17)10-4-3-5-11(10)14(9)16(15)21-2/h8H,3-7H2,1-2H3,(H,18,19)