3H-Indolium, 2-[5-[1-[6-[[3-[[(4-cycloocten-1-yloxy)carbonyl]amino]propyl]amino]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-, inner salt (ACI)
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Basic information
| GHS | |
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| Smiles | O=C(NCCCNC(CCCCCN1C(=CC=CC=CC2C(C)(C)C3C=C(S(O)(=O)=O)C=CC=3[N+]=2CCCS([O-])(=O)=O)C(C)(C)C2C1=CC=C(S(O)(=O)=O)C=2)=O)OC1CCCC=CCC1 |
| Inchi | InChI=1S/C46H62N4O12S3/c1-45(2)37-32-35(64(56,57)58)23-25-39(37)49(29-15-9-14-22-43(51)47-27-16-28-48-44(52)62-34-18-10-6-5-7-11-19-34)41(45)20-12-8-13-21-42-46(3,4)38-33-36(65(59,60)61)24-26-40(38)50(42)30-17-31-63(53,54)55/h5-6,8,12-13,20-21,23-26,32-34H,7,9-11,14-19,22,27-31H2,1-4H3,(H4-,47,48,51,52,53,54,55,56,57,58,59,60,61) |
| InchiKey | NOAVEHFDKWMOKQ-UHFFFAOYSA-N |
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