6-[7-heptoxy-4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[7-heptoxy-4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]naphthalene-2-carboxylic acid Openeye Name: 6-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)naphthalene-2-carboxylic acid CAS Name: 6-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl)-2-naphthalenecarboxylic acid IUPAC Name: 6-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)naphthalene-2-carboxylic acid Traditional Name: 6-(7-heptoxy-1,1-diketo-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-naphthoic acid Formula: C29H34O5S MolecularWeight: 494.64226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C(CCS2(=O)=O)(C)C

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C(CCS2(=O)=O)(C)C

InChI

InChI=1S/C29H34O5S/c1-4-5-6-7-8-14-34-26-19-27-25(29(2,3)13-15-35(27,32)33)18-24(26)22-11-9-21-17-23(28(30)31)12-10-20(21)16-22/h9-12,16-19H,4-8,13-15H2,1-3H3,(H,30,31)