4-[2-[(1E,3E,5E,7Z)-7-[3-[5-(dioxidanyl)pentyl]-3-methyl-1-(4-sulfinobutyl)indol-2-ylidene]hepta-1,3,5-trienyl]-1-methyl-3-(4-sulfinobutyl)benzo[e]indol-3-ium-1-yl]butanoic acid

Systemtic Name: 4-[2-[(1E,3E,5E,7Z)-7-[3-[5-(dioxidanyl)pentyl]-3-methyl-1-(4-sulfinobutyl)indol-2-ylidene]hepta-1,3,5-trienyl]-1-methyl-3-(4-sulfinobutyl)benzo[e]indol-3-ium-1-yl]butanoic acid Openeye Name: 4-[2-[(1E,3E,5E,7Z)-7-[3-(5-hydroperoxypentyl)-3-methyl-1-(4-sulfinobutyl)indolin-2-ylidene]hepta-1,3,5-trienyl]-1-methyl-3-(4-sulfinobutyl)benzo[e]indol-3-ium-1-yl]butanoic acid CAS Name: 4-[2-[(1E,3E,5E,7Z)-7-[3-(5-hydroperoxypentyl)-3-methyl-1-(4-sulfinobutyl)-2-indolylidene]hepta-1,3,5-trienyl]-1-methyl-3-(4-sulfinobutyl)-1-benzo[e]indol-3-iumyl]butanoic acid IUPAC Name: 4-[2-[(1E,3E,5E,7Z)-7-[3-(5-hydroperoxypentyl)-3-methyl-1-(4-sulfinobutyl)indol-2-ylidene]hepta-1,3,5-trienyl]-1-methyl-3-(4-sulfinobutyl)benzo[e]indol-3-ium-1-yl]butanoic acid Traditional Name: 4-[2-[(1E,3E,5E,7Z)-7-[3-(5-hydroperoxypentyl)-3-methyl-1-(4-sulfinobutyl)indolin-2-ylidene]hepta-1,3,5-trienyl]-1-methyl-3-(4-sulfinobutyl)benz[e]indol-3-ium-1-yl]butyric acid Formula: C46H59N2O8S2+ MolecularWeight: 832.09926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=CC=CC=CC3=[N+](C4=C(C3(C)CCCC(=O)O)C5=CC=CC=C5C=C4)CCCCS(=O)O)CCCCS(=O)O)CCCCCOO

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C=C\C=C\C=C\C3=[N+](C4=C(C3(C)CCCC(=O)O)C5=CC=CC=C5C=C4)CCCCS(=O)O)CCCCS(=O)O)CCCCCOO

InChI

InChI=1S/C46H58N2O8S2/c1-45(29-13-6-16-33-56-51)38-22-11-12-23-39(38)47(31-14-17-34-57(52)53)41(45)24-7-4-3-5-8-25-42-46(2,30-19-26-43(49)50)44-37-21-10-9-20-36(37)27-28-40(44)48(42)32-15-18-35-58(54)55/h3-5,7-12,20-25,27-28H,6,13-19,26,29-35H2,1-2H3,(H3-,49,50,51,52,53,54,55)/p+1