3-[[7,7-bis(oxidanylidene)-7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-trien-3-yl]oxy]propan-1-ol; 2-oxidanyl-5-propoxy-benzoic acid

Systemtic Name: 3-[[7,7-bis(oxidanylidene)-7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-trien-3-yl]oxy]propan-1-ol; 2-oxidanyl-5-propoxy-benzoic acid Openeye Name: 3-[(7,7-dioxo-7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-trien-3-yl)oxy]propan-1-ol; 2-hydroxy-5-propoxy-benzoic acid CAS Name: 3-[(7,7-dioxo-7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-trien-3-yl)oxy]-1-propanol; 2-hydroxy-5-propoxybenzoic acid IUPAC Name: 3-[(7,7-dioxo-7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-trien-3-yl)oxy]propan-1-ol; 2-hydroxy-5-propoxybenzoic acid Traditional Name: 3-[(7,7-diketo-7$l^{6}-thiabicyclo[2.2.1]hepta-1,3,5-trien-3-yl)oxy]propan-1-ol; 2-hydroxy-5-propoxy-benzoic acid Formula: C19H22O8S MolecularWeight: 410.43818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)O)C(=O)O.C1=CC2=C(C=C1S2(=O)=O)OCCCO

Isomeric SMILES

CCCOC1=CC(=C(C=C1)O)C(=O)O.C1=CC2=C(C=C1S2(=O)=O)OCCCO

InChI

InChI=1S/C10H12O4.C9H10O4S/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13;10-4-1-5-13-8-6-7-2-3-9(8)14(7,11)12/h3-4,6,11H,2,5H2,1H3,(H,12,13);2-3,6,10H,1,4-5H2