| SpectraBase Compound ID | 6G0aJrYljsR |
|---|---|
| InChI | InChI=1S/C50H44O4S2/c1-51-47-35-23-31(39-13-5-9-17-43(39)47)21-32-24-37(49(53-3)44-18-10-6-14-40(32)44)29-56-30-38-26-34(42-16-8-12-20-46(42)50(38)54-4)22-33-25-36(28-55-27-35)48(52-2)45-19-11-7-15-41(33)45/h5-20,23-26H,21-22,27-30H2,1-4H3 |
| InChIKey | HDMVWOOATJLIMH-UHFFFAOYSA-N |
| Mol Weight | 773.0 g/mol |
| Molecular Formula | C50H44O4S2 |
| Exact Mass | 772.268102 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KxyZxtEFtgG |
|---|---|
| Name | Dithiadihomocalixnaphthalene |
| Alternate Name(s) | 10,16,32,38-tetramethoxy-13,35-dithianonacyclo[35.7.1.1(3,11).1(15,23).1(25,33).0(4,9).0(17,22).0(26,31).0(39,44)]octatetraconta-1,3,5,7,9,11(48),15,17,19,21,23(47),25(46),26,28,30,32,37(45),38,40,42-icosaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H44O4S2 |
| InChI | InChI=1S/C50H44O4S2/c1-51-47-35-23-31(39-13-5-9-17-43(39)47)21-32-24-37(49(53-3)44-18-10-6-14-40(32)44)29-56-30-38-26-34(42-16-8-12-20-46(42)50(38)54-4)22-33-25-36(28-55-27-35)48(52-2)45-19-11-7-15-41(33)45/h5-20,23-26H,21-22,27-30H2,1-4H3 |
| InChIKey | HDMVWOOATJLIMH-UHFFFAOYSA-N |
| Molecular Weight | 773.018 g/mol |
| SMILES | c12c3c(cccc3)c(c(c1)CSCc1c(c3ccccc3c(c1)Cc1c3ccccc3c(c(CSCc3cc(C2)c2c(cccc2)c3OC)c1)OC)OC)OC |
| SPLASH | splash10-000i-0009041000-fa439290694ed15ef178 |
| Source of Spectrum | J-61-3869-12 |
| Wiley ID | 1416755 |