7-[2-[3-(butylsulfanylmethyl)phenyl]-6-oxidanyl-6-oxidanylidene-hexoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[2-[3-(butylsulfanylmethyl)phenyl]-6-oxidanyl-6-oxidanylidene-hexoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[2-[3-(butylsulfanylmethyl)phenyl]-6-hydroxy-6-oxo-hexoxy]-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[2-[3-[(butylthio)methyl]phenyl]-6-hydroxy-6-oxohexoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[2-[3-(butylsulfanylmethyl)phenyl]-6-hydroxy-6-oxohexoxy]-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[2-[3-[(butylthio)methyl]phenyl]-6-hydroxy-6-keto-hexoxy]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C30H36O7S MolecularWeight: 540.66764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=CC(=CC=C1)C(CCCC(=O)O)COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

Isomeric SMILES

CCCCSCC1=CC(=CC=C1)C(CCCC(=O)O)COC2=C(C3=C(C=C2)C(=O)C=C(O3)C(=O)O)CCC

InChI

InChI=1S/C30H36O7S/c1-3-5-15-38-19-20-9-6-10-21(16-20)22(11-7-12-28(32)33)18-36-26-14-13-23-25(31)17-27(30(34)35)37-29(23)24(26)8-4-2/h6,9-10,13-14,16-17,22H,3-5,7-8,11-12,15,18-19H2,1-2H3,(H,32,33)(H,34,35)