Basic Information |
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Product Name: | HEPTACARBOXYLPORPHYRIN I HEPTAMETHYL ESTER |
CAS: | 885267-27-6 |
English Synonyms: | HEPTACARBOXYLPORPHYRIN I HEPTAMETHYL ESTER |
MDL Number.: | MFCD08669588 |
H bond acceptor: | 18 |
H bond donor: | 2 |
Smile: | Cc1/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc(/c1CCC(=O)OC)\[nH]2)C(=C5CCC(=O)OC)CC(=O)OC)CC(=O)OC)CCC(=O)OC)/C(=C3CCC(=O)OC)CC(=O)OC |
InChi: | InChI=1S/C46H52N4O14/c1-24-25(9-13-40(51)58-2)33-21-37-30(18-45(56)63-7)27(11-15-42(53)60-4)35(49-37)23-39-31(19-46(57)64-8)28(12-16-43(54)61-5)36(50-39)22-38-29(17-44(55)62-6)26(10-14-41(52)59-3)34(48-38)20-32(24)47-33/h20-23,47,50H,9-19H2,1-8H3/b32-20-,33-21-,34-20-,35-23-,36-22-,37-21-,38-22-,39-23- |
InChiKey: | InChIKey=HAJGURJBJZZUTJ-IHQQFAAOSA-N |
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